EVODEX Logo

EVODEX.1-P4546

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-C1409 - Reaction Operator C

Reaction Operator C SMIRKS

([#6:14]-[#16:15].[#6@:22]-[#6@:24])>>([H]-[#8]-[#6:14].[#6@@:24]-[#6@@:22]).[H]-[#16:15]

EVODEX.1-N1791 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:14](-[#6@@:13]-[#6@:22](-[#8:23])(-[H:40])-[#6@:24](-[#6@:11])(-[#8:25])-[H:42])(-[#16:15]-[#6:16])(-[H:36])-[H:37]>>[H]-[#8]-[#6:14](-[#6@@:13]-[#6@:22](-[#6@:24](-[#6@:11])(-[#8:25])-[H:42])(-[#8:23])-[H:40])(-[H:36])-[H:37].[H]-[#16:15]-[#6:16]

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-R5382

Full Reaction Rendering

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