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EVODEX.1-P864

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][C:3]1=[C:4]([O:5][C:6]([H:62])([H:63])[H:64])[C:7](=[O:8])[C:9]([C:10]([C:11](=[C:12]([C:13]([H:65])([H:66])[H:67])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:68])([H:69])[H:70])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:71])([H:72])[H:73])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:74])([H:75])[H:76])[C:29]([C:30]([C:31](=[C:32]([C:33]([H:77])([H:78])[H:79])[C:34]([C:35]([C:36](=[C:37]([C:38]([H:80])([H:81])[H:82])[C:39]([C:40]([C:41](=[C:42]([C:43]([H:83])([H:84])[H:85])[C:44]([C:45]([C:46](=[C:47]([C:48]([H:86])([H:87])[H:88])[C:49]([H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])[H:102])([H:103])[H:104])([H:105])[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])=[C:50]([C:51]([H:130])([H:131])[H:132])[C:52]1=[O:53])([H:133])([H:134])[H:135].[H][C:57]([C:55](=[O:54])[O:56][H:136])([C:58]([H])([C:59](=[O:60])[O:61][H:137])[H:138])[H:140]>>[H][O:8][C:7]1:[C:4]([O:5][C:6]([H:62])([H:63])[H:64]):[C:3]([O:2][C:1]([H:133])([H:134])[H:135]):[C:52]([O:53][H]):[C:50]([C:51]([H:130])([H:131])[H:132]):[C:9]:1[C:10]([C:11](=[C:12]([C:13]([H:65])([H:66])[H:67])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:68])([H:69])[H:70])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:71])([H:72])[H:73])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:74])([H:75])[H:76])[C:29]([C:30]([C:31](=[C:32]([C:33]([H:77])([H:78])[H:79])[C:34]([C:35]([C:36](=[C:37]([C:38]([H:80])([H:81])[H:82])[C:39]([C:40]([C:41](=[C:42]([C:43]([H:83])([H:84])[H:85])[C:44]([C:45]([C:46](=[C:47]([C:48]([H:86])([H:87])[H:88])[C:49]([H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])[H:102])([H:103])[H:104])([H:105])[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].[O:54]=[C:55]([O:56][H:136])[C:57](=[C:58]([C:59](=[O:60])[O:61][H:137])[H:138])[H:140]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E328 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]1=[#6:4]-[#6:6](=[#8:7])-[#6:8]=[#6:10]-[#6:26]-1=[#8:27].[#8:28]=[#6:29]-[#6:31](-[#6:32](-[#6:33]=[#8:34])(-[H:71])-[H])(-[H:73])-[H]>>[#6:3]1:[#6:4]:[#6:6](-[#8:7]-[H]):[#6:8]:[#6:10]:[#6:26]:1-[#8:27]-[H].[#8:28]=[#6:29]-[#6:31](=[#6:32](-[#6:33]=[#8:34])-[H:71])-[H:73]

EVODEX.1-C240 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N225 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:6]=[#8:7].[#6:14]=[#8:15]).[H]-[#6:19](-[#6:17])(-[#6:20](-[H])(-[#6:21])-[H:40])-[H:42]>>([H]-[#8:7]-[#6:6].[#6:14]-[#8:15]-[H]).[#6:17]-[#6:19](=[#6:20](-[#6:21])-[H:40])-[H:42]

EVODEX.1-Em325 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#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]>>[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]

EVODEX.1-Cm221 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm309 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R832

Full Reaction Rendering

[C:1]([O:2][C:3]1=[C:4]([O:5][C:6]([H:62])([H:63])[H:64])[C:7](=[O:8])[C:9]([C:10]([C:11](=[C:12]([C:13]([H:65])([H:66])[H:67])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:68])([H:69])[H:70])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:71])([H:72])[H:73])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:74])([H:75])[H:76])[C:29]([C:30]([C:31](=[C:32]([C:33]([H:77])([H:78])[H:79])[C:34]([C:35]([C:36](=[C:37]([C:38]([H:80])([H:81])[H:82])[C:39]([C:40]([C:41](=[C:42]([C:43]([H:83])([H:84])[H:85])[C:44]([C:45]([C:46](=[C:47]([C:48]([H:86])([H:87])[H:88])[C:49]([H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])[H:102])([H:103])[H:104])([H:105])[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])=[C:50]([C:51]([H:130])([H:131])[H:132])[C:52]1=[O:53])([H:133])([H:134])[H:135].[H][C:57]([C:55](=[O:54])[O:56][H:136])([C:58]([H])([C:59](=[O:60])[O:61][H:137])[H:138])[H:140]>>[H][O:8][C:7]1:[C:4]([O:5][C:6]([H:62])([H:63])[H:64]):[C:3]([O:2][C:1]([H:133])([H:134])[H:135]):[C:52]([O:53][H]):[C:50]([C:51]([H:130])([H:131])[H:132]):[C:9]:1[C:10]([C:11](=[C:12]([C:13]([H:65])([H:66])[H:67])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:68])([H:69])[H:70])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:71])([H:72])[H:73])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:74])([H:75])[H:76])[C:29]([C:30]([C:31](=[C:32]([C:33]([H:77])([H:78])[H:79])[C:34]([C:35]([C:36](=[C:37]([C:38]([H:80])([H:81])[H:82])[C:39]([C:40]([C:41](=[C:42]([C:43]([H:83])([H:84])[H:85])[C:44]([C:45]([C:46](=[C:47]([C:48]([H:86])([H:87])[H:88])[C:49]([H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])[H:102])([H:103])[H:104])([H:105])[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].[O:54]=[C:55]([O:56][H:136])[C:57](=[C:58]([C:59](=[O:60])[O:61][H:137])[H:138])[H:140]