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EVODEX.1-P577

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:22]([N:21]([C:19]([C@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:40])([H:41])[H:42])[H:58])([N:5]([C:6](=[O:7])[C@:8]([N:9]([H:43])[H:44])([C:10]([C:11]1:[C:12]([H:45]):[C:13]([H:46]):[C:14]([O:15][H:47]):[C:16]([I:17]):[C:18]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:57])=[O:20])[H:56])([C:23](=[O:24])[O:25][H:53])[H:54]>>[H]O[C:22]([N:21]([C:19]([C@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:40])([H:41])[H:42])[H:58])([N:5]([C:6](=[O:7])[C@:8]([N:9]([H:43])[H:44])([C:10]([C:11]1:[C:12]([H:45]):[C:13]([H:46]):[C:14]([O:15][H:47]):[C:16]([I:17]):[C:18]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:57])=[O:20])[H:56])([C:23](=[O:24])[O:25][H:53])[H:54]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E409 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:4]-[#6:5](-[#6:6])(-[H:35])-[H]>>[#7:4]-[#6:5](-[#6:6])(-[#8]-[H])-[H:35]

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5]>>[H]-[#8]-[#6:5]

EVODEX.1-N160 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:24](-[#7:23])(-[#6:25])-[H:54]>>[H]-[#8]-[#6:24](-[#7:23])(-[#6:25])-[H:54]

EVODEX.1-Em242 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:24](-[#7:23])-[#6:25]>>[H]-[#8]-[#6:24](-[#7:23])-[#6:25]

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5]>>[#8]-[#6:5]

EVODEX.1-Nm240 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:24](-[#7:23])-[#6:25]>>[H]-[#8]-[#6:24](-[#7:23])-[#6:25]

Source Full Reactions

EVODEX.1-R544

Full Reaction Rendering

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