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EVODEX.1-P587

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:18]([N:17]([C:15]([C@@:12]([N:11]([C:9]([C:8]([C:7]([C@:6]([N:5]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:4]([H:39])([H:40])[H:41])[H:58])[H:57])([C:22](=[O:23])[O:24][H:55])[H:56])([H:53])[H:54])([H:51])[H:52])=[O:10])[H:50])([C:13]([S:14][H:42])([H:43])[H:44])[H:49])=[O:16])[H:48])([C:19](=[O:20])[O:21][H:45])[H:46].O=[O:37]>>[H][O:37][C:18]([N:17]([C:15]([C@@:12]([N:11]([C:9]([C:8]([C:7]([C@:6]([N:5]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:4]([H:39])([H:40])[H:41])[H:58])[H:57])([C:22](=[O:23])[O:24][H:55])[H:56])([H:53])[H:54])([H:51])[H:52])=[O:10])[H:50])([C:13]([S:14][H:42])([H:43])[H:44])[H:49])=[O:16])[H:48])([C:19](=[O:20])[O:21][H:45])[H:46]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E438 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:4]-[#6:5](-[#6:6])(-[H:35])-[H].[#8:23]=[#8]>>[#7:4]-[#6:5](-[#6:6])(-[#8:23]-[H])-[H:35]

EVODEX.1-C21 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:2].[#8]=[#8:83]>>[H]-[#8:83]-[#6@:2]

EVODEX.1-N165 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:18](-[#7:17])(-[#6:19])-[H:46].[#8]=[#8:37]>>[H]-[#8:37]-[#6:18](-[#7:17])(-[#6:19])-[H:46]

EVODEX.1-Em247 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:18](-[#7:17])-[#6:19].[#8]=[#8:37]>>[H]-[#8:37]-[#6:18](-[#7:17])-[#6:19]

EVODEX.1-Cm40 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:2].[#8]=[#8:83]>>[H]-[#8:83]-[#6:2]

EVODEX.1-Nm245 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:18](-[#7:17])-[#6:19].[#8]=[#8:37]>>[H]-[#8:37]-[#6:18](-[#7:17])-[#6:19]

Source Full Reactions

EVODEX.1-R553

Full Reaction Rendering

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