EVODEX.1-P4134

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[C:20]([O:21][H:46])([C:22]([O:23][H:47])([C:24]([O:25][H:48])([C:26](=[O:27])[C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35](=[C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])[H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([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])([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][O:45][H:118]>>[H][C:20]([O:21][H:46])([C:22]([O:23][H:47])([C:24]([O:25][H:48])([C:26](=[O:27])[C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35](=[C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])[H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])[H:84].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:45][H:118])([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])([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]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E233 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])(-[#6:22])-[H:30].[#8:24](-[H:66])-[H]>>[#6:20](-[#8:21])(-[#6:22])(-[H:30])-[H].[#6:17]-[#6:18](=[#8:19])-[#8:24]-[H:66]

EVODEX.1-C39 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:9]-[#6:10].[H]-[#8:1]>>[H]-[#6:9].[#8:1]-[#6:10]

EVODEX.1-N641 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])(-[#6:20])-[H:28].[H]-[#8:22]-[H:60]>>[H]-[#6:18](-[#8:19])(-[#6:20])-[H:28].[#6:15]-[#6:16](=[#8:17])-[#8:22]-[H:60]

EVODEX.1-Em607 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])-[#6:20].[H]-[#8:22]>>[H]-[#6:18](-[#8:19])-[#6:20].[#6:15]-[#6:16](=[#8:17])-[#8:22]

EVODEX.1-Cm82 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:9]-[#6:10].[H]-[#8:1]>>[H]-[#6:9].[#8:1]-[#6:10]

EVODEX.1-Nm542 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])-[#6:20].[H]-[#8:22]>>[H]-[#6:18](-[#8:19])-[#6:20].[#6:15]-[#6:16](=[#8:17])-[#8:22]

Source Full Reactions

EVODEX.1-R4974

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[C:20]([O:21][H:46])([C:22]([O:23][H:47])([C:24]([O:25][H:48])([C:26](=[O:27])[C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35](=[C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])[H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([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])([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][O:45][H:118]>>[H][C:20]([O:21][H:46])([C:22]([O:23][H:47])([C:24]([O:25][H:48])([C:26](=[O:27])[C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35](=[C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])[H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])[H:84].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:45][H:118])([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])([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]