EVODEX.1-P160

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][C:3]1=[C:4]([O:5][C:6]([H:53])([H:54])[H:55])[C:7](=[O:8])[C:9]([C:10]([C:11](=[C:12]([C:13]([H:56])([H:57])[H:58])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:59])([H:60])[H:61])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:62])([H:63])[H:64])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:65])([H:66])[H:67])[C:29]([C:30]([C:31](=[C:32]([C:33]([H:68])([H:69])[H:70])[C:34]([C:35]([C:36](=[C:37]([C:38]([H:71])([H:72])[H:73])[C:39]([H:74])([H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])([H:88])[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])=[C:40]([C:41]([H:105])([H:106])[H:107])[C:42]1=[O:43])([H:108])([H:109])[H:110].[H][C@@:48]([C:47]([C:45](=[O:44])[O:46][H:111])([H:115])[H:116])([O:49][H])[C:50](=[O:51])[O:52][H:113]>>[H][O:8][C:7]1:[C:4]([O:5][C:6]([H:53])([H:54])[H:55]):[C:3]([O:2][C:1]([H:108])([H:109])[H:110]):[C:42]([O:43][H]):[C:40]([C:41]([H:105])([H:106])[H:107]):[C:9]:1[C:10]([C:11](=[C:12]([C:13]([H:56])([H:57])[H:58])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:59])([H:60])[H:61])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:62])([H:63])[H:64])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:65])([H:66])[H:67])[C:29]([C:30]([C:31](=[C:32]([C:33]([H:68])([H:69])[H:70])[C:34]([C:35]([C:36](=[C:37]([C:38]([H:71])([H:72])[H:73])[C:39]([H:74])([H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])([H:88])[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].[O:44]=[C:45]([O:46][H:111])[C:47]([C:48](=[O:49])[C:50](=[O:51])[O:52][H:113])([H:115])[H:116]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C72 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:1].[#8:6]).[H]-[#6@:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-N83 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6@:13](-[#6@:11])(-[#8:14]-[H])-[#6@:15]>>[#6:13](-[#6@:11])(=[#8:14])-[#6@:15].([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H])

EVODEX.1-Em190 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:13]=[#6:14]1-[#6:15]=[#6:16]-[#6:17](=[#8:18])-[#6:19]=[#6:20]-1.[H]-[#6:5](-[#6:2]=[#8:1])(-[#8:6]-[H])-[#6:7]>>[#8:1]=[#6:2]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:13]-[#6:14]1:[#6:15]:[#6:16]:[#6:17](-[#8:18]-[H]):[#6:19]:[#6:20]:1

EVODEX.1-Cm76 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([#8:1].[#8:6]).[H]-[#6:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-Nm98 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6:13](-[#6:11])(-[#8:14]-[H])-[#6:15]>>[#6:11]-[#6:13](=[#8:14])-[#6:15].([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H])

Source Full Reactions

EVODEX.1-R205

Full Reaction Rendering

[C:1]([O:2][C:3]1=[C:4]([O:5][C:6]([H:53])([H:54])[H:55])[C:7](=[O:8])[C:9]([C:10]([C:11](=[C:12]([C:13]([H:56])([H:57])[H:58])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:59])([H:60])[H:61])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:62])([H:63])[H:64])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:65])([H:66])[H:67])[C:29]([C:30]([C:31](=[C:32]([C:33]([H:68])([H:69])[H:70])[C:34]([C:35]([C:36](=[C:37]([C:38]([H:71])([H:72])[H:73])[C:39]([H:74])([H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])([H:88])[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])=[C:40]([C:41]([H:105])([H:106])[H:107])[C:42]1=[O:43])([H:108])([H:109])[H:110].[H][C@@:48]([C:47]([C:45](=[O:44])[O:46][H:111])([H:115])[H:116])([O:49][H])[C:50](=[O:51])[O:52][H:113]>>[H][O:8][C:7]1:[C:4]([O:5][C:6]([H:53])([H:54])[H:55]):[C:3]([O:2][C:1]([H:108])([H:109])[H:110]):[C:42]([O:43][H]):[C:40]([C:41]([H:105])([H:106])[H:107]):[C:9]:1[C:10]([C:11](=[C:12]([C:13]([H:56])([H:57])[H:58])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:59])([H:60])[H:61])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:62])([H:63])[H:64])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:65])([H:66])[H:67])[C:29]([C:30]([C:31](=[C:32]([C:33]([H:68])([H:69])[H:70])[C:34]([C:35]([C:36](=[C:37]([C:38]([H:71])([H:72])[H:73])[C:39]([H:74])([H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])([H:88])[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].[O:44]=[C:45]([O:46][H:111])[C:47]([C:48](=[O:49])[C:50](=[O:51])[O:52][H:113])([H:115])[H:116]