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EVODEX.1-P4301

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C@@:2]([C:3]([C:4]([S:5][C:6]([C@@:7]1([H:28])[O:8][C@:9]([N:10]2:[C:11]([H:29]):[N:12]:[C:13]3:[C:14](=[O:15]):[N:16]([H:30]):[C:17]([H:31]):[N:18]:[C:19]:2:3)([H:32])[C@@:20]([O:21][H:33])([H:34])[C@@:22]1([O:23][H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([C:24](=[O:25])[O:26][H:43])[H:44])([H:45])[H:46]>>[H]O[C:6]([C@@:7]1([H:28])[O:8][C@:9]([N:10]2:[C:11]([H:29]):[N:12]:[C:13]3:[C:14](=[O:15]):[N:16]([H:30]):[C:17]([H:31]):[N:18]:[C:19]:2:3)([H:32])[C@@:20]([O:21][H:33])([H:34])[C@@:22]1([O:23][H:35])[H:36])([H:37])[H:38].[H][S:5][C:4]([C:3]([C@:2]([N:1]([H:45])[H:46])([C:24](=[O:25])[O:26][H:43])[H:44])([H:41])[H:42])([H:39])[H:40]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E351 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#16:4]-[#6:5](-[#6@:6])(-[H:16])-[H:17]>>[#6:5](-[#6@:6])(-[#8]-[H])(-[H:16])-[H:17].[#6:3]-[#16:4]-[H]

EVODEX.1-C1385 - Reaction Operator C

Reaction Operator C SMIRKS

([#16:5]-[#6:6].[#6@@:2])>>[H]-[#8]-[#6:6].([H]-[#16:5].[#6@:2])

EVODEX.1-N1760 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:1]-[#6@@:2](-[#6:3]-[#6:4]-[#16:5]-[#6:6](-[#6@@:7])(-[H:37])-[H:38])(-[#6:24])-[H:44]>>[H]-[#8]-[#6:6](-[#6@@:7])(-[H:37])-[H:38].[H]-[#16:5]-[#6:4]-[#6:3]-[#6@:2](-[#7:1])(-[#6:24])-[H:44]

EVODEX.1-Em585 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:9]-[#6:10]-[#16:11]-[#6:12]>>[H]-[#8]-[#6:10]-[#6:9].[H]-[#16:11]-[#6:12]

EVODEX.1-Cm12 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:4]-[#16:6]>>[#8]-[#6:4].[H]-[#16:6]

EVODEX.1-Nm525 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:9]-[#6:10]-[#16:11]-[#6:12]>>[H]-[#8]-[#6:10]-[#6:9].[H]-[#16:11]-[#6:12]

Source Full Reactions

EVODEX.1-R5143

Full Reaction Rendering

[N:1]([C@@:2]([C:3]([C:4]([S:5][C:6]([C@@:7]1([H:28])[O:8][C@:9]([N:10]2:[C:11]([H:29]):[N:12]:[C:13]3:[C:14](=[O:15]):[N:16]([H:30]):[C:17]([H:31]):[N:18]:[C:19]:2:3)([H:32])[C@@:20]([O:21][H:33])([H:34])[C@@:22]1([O:23][H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([C:24](=[O:25])[O:26][H:43])[H:44])([H:45])[H:46].[H][O:27][H:47]>>[C:6]([C@@:7]1([H:28])[O:8][C@:9]([N:10]2:[C:11]([H:29]):[N:12]:[C:13]3:[C:14](=[O:15]):[N:16]([H:30]):[C:17]([H:31]):[N:18]:[C:19]:2:3)([H:32])[C@@:20]([O:21][H:33])([H:34])[C@@:22]1([O:23][H:35])[H:36])([O:27][H:47])([H:37])[H:38].[H][S:5][C:4]([C:3]([C@:2]([N:1]([H:45])[H:46])([C:24](=[O:25])[O:26][H:43])[H:44])([H:41])[H:42])([H:39])[H:40]