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EVODEX.1-P6574

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E84 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:8]-[#6@@:9](-[#7:10])(-[#6:11])-[H:21]>>[#6:8]-[#6@:9](-[#7:10])(-[#6:11])-[H:21]

EVODEX.1-C47 - Reaction Operator C

Reaction Operator C SMIRKS

[#6@@:21]>>[#6@:21]

EVODEX.1-N968 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:17]-[#6@:21](-[#6:20])(-[#6:22])-[H:71]>>[#7:17]-[#6@@:21](-[#6:20])(-[#6:22])-[H:71]

Source Full Reactions

EVODEX.1-R7155

Full Reaction Rendering

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