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EVODEX.1-P4218

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E361 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6@@:7](-[#8:8]-[#15:9])(-[H:45])-[#6@:23]>>[#6:6]-[#6@@:7](-[#8]-[H])(-[H:45])-[#6@:23].[#8:8](-[#15:9])-[H]

EVODEX.1-C188 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:7]-[#6@@:6]-[#6@:4].[#6@:17])>>([H]-[#8]-[#6@@:6]-[#6@@:4].[#6@@:17]).[H]-[#8:7]

EVODEX.1-N1746 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:5](-[#6@:4]1(-[#6@:3]-[#6@@:14](-[#8:13]-[#6@@:10]-1(-[#6:11])-[H:33])(-[#7:15])-[H:38])-[H:29])-[#15:6]>>[H]-[#8]-[#6@@:4]1(-[H:29])-[#6@:3]-[#6@@:14](-[#7:15])(-[H:38])-[#8:13]-[#6@@:10]-1(-[#6:11])-[H:33].[H]-[#8:5]-[#15:6]

EVODEX.1-Em619 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:15](-[#8:16]-[#15:17])-[#6:21]>>[H]-[#8]-[#6:15](-[#6:8])-[#6:21].[H]-[#8:16]-[#15:17]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm554 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:15](-[#8:16]-[#15:17])-[#6:21]>>[H]-[#8]-[#6:15](-[#6:8])-[#6:21].[H]-[#8:16]-[#15:17]

Source Full Reactions

EVODEX.1-R5067

Full Reaction Rendering

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