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EVODEX.1-P862

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:5][C:4]1:[C:3]([O:2][C:1]([H:161])([H:162])[H:163]):[C:61]([O:62][C:63]([H:158])([H:159])[H:160]):[C:59]([O:60][H]):[C:8]([C:9]([C:10](=[C:11]([C:12]([H:76])([H:77])[H:78])[C:13]([C:14]([C:15](=[C:16]([C:17]([H:79])([H:80])[H:81])[C:18]([C:19]([C:20](=[C:21]([C:22]([H:82])([H:83])[H:84])[C:23]([C:24]([C:25](=[C:26]([C:27]([H:85])([H:86])[H:87])[C:28]([C:29]([C:30](=[C:31]([C:32]([H:88])([H:89])[H:90])[C:33]([C:34]([C:35](=[C:36]([C:37]([H:91])([H:92])[H:93])[C:38]([C:39]([C:40](=[C:41]([C:42]([H:94])([H:95])[H:96])[C:43]([C:44]([C:45](=[C:46]([C:47]([H:97])([H:98])[H:99])[C:48]([C:49]([C:50](=[C:51]([C:52]([H:100])([H:101])[H:102])[C:53]([C:54]([C:55](=[C:56]([C:57]([H:103])([H:104])[H:105])[C:58]([H:106])([H:107])[H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])([H:125])[H:126])([H:127])[H:128])[H:129])([H:130])[H:131])([H:132])[H:133])[H:134])([H:135])[H:136])([H:137])[H:138])[H:139])([H:140])[H:141])([H:142])[H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])([H:152])[H:153])[H:154])([H:155])[H:156]):[C:6]:1[C:7]([H:73])([H:74])[H:75].[O:64]=[C:65]([O:66][H:164])[C:67](=[C:68]([C:69](=[O:70])[O:71][H:165])[H:166])[H:167]>>[C:1]([O:2][C:3]1=[C:61]([O:62][C:63]([H:158])([H:159])[H:160])[C:59](=[O:60])[C:8]([C:9]([C:10](=[C:11]([C:12]([H:76])([H:77])[H:78])[C:13]([C:14]([C:15](=[C:16]([C:17]([H:79])([H:80])[H:81])[C:18]([C:19]([C:20](=[C:21]([C:22]([H:82])([H:83])[H:84])[C:23]([C:24]([C:25](=[C:26]([C:27]([H:85])([H:86])[H:87])[C:28]([C:29]([C:30](=[C:31]([C:32]([H:88])([H:89])[H:90])[C:33]([C:34]([C:35](=[C:36]([C:37]([H:91])([H:92])[H:93])[C:38]([C:39]([C:40](=[C:41]([C:42]([H:94])([H:95])[H:96])[C:43]([C:44]([C:45](=[C:46]([C:47]([H:97])([H:98])[H:99])[C:48]([C:49]([C:50](=[C:51]([C:52]([H:100])([H:101])[H:102])[C:53]([C:54]([C:55](=[C:56]([C:57]([H:103])([H:104])[H:105])[C:58]([H:106])([H:107])[H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])([H:125])[H:126])([H:127])[H:128])[H:129])([H:130])[H:131])([H:132])[H:133])[H:134])([H:135])[H:136])([H:137])[H:138])[H:139])([H:140])[H:141])([H:142])[H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])([H:152])[H:153])[H:154])([H:155])[H:156])=[C:6]([C:7]([H:73])([H:74])[H:75])[C:4]1=[O:5])([H:161])([H:162])[H:163].[H][C:67]([C:65](=[O:64])[O:66][H:164])([C:68]([H])([C:69](=[O:70])[O:71][H:165])[H:166])[H:167]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E329 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]1:[#6:3]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:9]:[#6:11]:1-[#8:12]-[H].[#8:13]=[#6:14]-[#6:16](=[#6:17](-[#6:18]=[#8:19])-[H:37])-[H:38]>>[#6:2]1=[#6:3]-[#6:5](=[#8:6])-[#6:7]=[#6:9]-[#6:11]-1=[#8:12].[#8:13]=[#6:14]-[#6:16](-[#6:17](-[#6:18]=[#8:19])(-[H:37])-[H])(-[H:38])-[H]

EVODEX.1-C241 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:7].[#8:15]-[H]).[#6:19]=[#6:20]>>([#8:7].[#8:15]).[H]-[#6:19]-[#6:20]-[H]

EVODEX.1-N226 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#8:7]-[#6:6].[#6:14]-[#8:15]-[H]).[#6:17]-[#6:19](=[#6:20](-[#6:21])-[H:42])-[H:43]>>([#6:6]=[#8:7].[#6:14]=[#8:15]).[H]-[#6:19](-[#6:17])(-[#6:20](-[H])(-[#6:21])-[H:42])-[H:43]

EVODEX.1-Em326 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:7]-[#6:6]1:[#6:4]:[#6:3]:[#6:14](-[#8:15]-[H]):[#6:11]:[#6:8]:1.[#8:16]=[#6:17]-[#6:19]=[#6:20]-[#6:21]=[#8:22]>>[#6:3]1=[#6:4]-[#6:6](=[#8:7])-[#6:8]=[#6:11]-[#6:14]-1=[#8:15].[H]-[#6:19](-[#6:17]=[#8:16])-[#6:20](-[H])-[#6:21]=[#8:22]

EVODEX.1-Cm222 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#8:7].[#8:15]-[H]).[#6:19]=[#6:20]>>([#8:7].[#8:15]).[H]-[#6:19]-[#6:20]-[H]

EVODEX.1-Nm310 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([H]-[#8:7]-[#6:6].[#6:14]-[#8:15]-[H]).[#6:17]-[#6:19]=[#6:20]-[#6:21]>>([#6:6]=[#8:7].[#6:14]=[#8:15]).[H]-[#6:19](-[#6:17])-[#6:20](-[H])-[#6:21]

Source Full Reactions

EVODEX.1-R830

Full Reaction Rendering

[H][O:5][C:4]1:[C:3]([O:2][C:1]([H:161])([H:162])[H:163]):[C:61]([O:62][C:63]([H:158])([H:159])[H:160]):[C:59]([O:60][H]):[C:8]([C:9]([C:10](=[C:11]([C:12]([H:76])([H:77])[H:78])[C:13]([C:14]([C:15](=[C:16]([C:17]([H:79])([H:80])[H:81])[C:18]([C:19]([C:20](=[C:21]([C:22]([H:82])([H:83])[H:84])[C:23]([C:24]([C:25](=[C:26]([C:27]([H:85])([H:86])[H:87])[C:28]([C:29]([C:30](=[C:31]([C:32]([H:88])([H:89])[H:90])[C:33]([C:34]([C:35](=[C:36]([C:37]([H:91])([H:92])[H:93])[C:38]([C:39]([C:40](=[C:41]([C:42]([H:94])([H:95])[H:96])[C:43]([C:44]([C:45](=[C:46]([C:47]([H:97])([H:98])[H:99])[C:48]([C:49]([C:50](=[C:51]([C:52]([H:100])([H:101])[H:102])[C:53]([C:54]([C:55](=[C:56]([C:57]([H:103])([H:104])[H:105])[C:58]([H:106])([H:107])[H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])([H:125])[H:126])([H:127])[H:128])[H:129])([H:130])[H:131])([H:132])[H:133])[H:134])([H:135])[H:136])([H:137])[H:138])[H:139])([H:140])[H:141])([H:142])[H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])([H:152])[H:153])[H:154])([H:155])[H:156]):[C:6]:1[C:7]([H:73])([H:74])[H:75].[O:64]=[C:65]([O:66][H:164])[C:67](=[C:68]([C:69](=[O:70])[O:71][H:165])[H:166])[H:167]>>[C:1]([O:2][C:3]1=[C:61]([O:62][C:63]([H:158])([H:159])[H:160])[C:59](=[O:60])[C:8]([C:9]([C:10](=[C:11]([C:12]([H:76])([H:77])[H:78])[C:13]([C:14]([C:15](=[C:16]([C:17]([H:79])([H:80])[H:81])[C:18]([C:19]([C:20](=[C:21]([C:22]([H:82])([H:83])[H:84])[C:23]([C:24]([C:25](=[C:26]([C:27]([H:85])([H:86])[H:87])[C:28]([C:29]([C:30](=[C:31]([C:32]([H:88])([H:89])[H:90])[C:33]([C:34]([C:35](=[C:36]([C:37]([H:91])([H:92])[H:93])[C:38]([C:39]([C:40](=[C:41]([C:42]([H:94])([H:95])[H:96])[C:43]([C:44]([C:45](=[C:46]([C:47]([H:97])([H:98])[H:99])[C:48]([C:49]([C:50](=[C:51]([C:52]([H:100])([H:101])[H:102])[C:53]([C:54]([C:55](=[C:56]([C:57]([H:103])([H:104])[H:105])[C:58]([H:106])([H:107])[H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])([H:125])[H:126])([H:127])[H:128])[H:129])([H:130])[H:131])([H:132])[H:133])[H:134])([H:135])[H:136])([H:137])[H:138])[H:139])([H:140])[H:141])([H:142])[H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])([H:152])[H:153])[H:154])([H:155])[H:156])=[C:6]([C:7]([H:73])([H:74])[H:75])[C:4]1=[O:5])([H:161])([H:162])[H:163].[H][C:67]([C:65](=[O:64])[O:66][H:164])([C:68]([H])([C:69](=[O:70])[O:71][H:165])[H:166])[H:167]