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EVODEX.1-P4263

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E365 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:43](-[#6@@:42](-[#6@@:40])(-[H:261])-[#6@:48])-[#16:44]>>[#8](-[#6@@:42](-[#6@@:40])(-[H:261])-[#6@:48])-[H].[#8:43](-[#16:44])-[H]

EVODEX.1-C172 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:22]-[#6@@:21]-[#6@@:11]>>[H]-[#8]-[#6@@:21]-[#6@:11].[H]-[#8:22]

EVODEX.1-N1750 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:10]-[#6@@:11](-[H:33])(-[#8:12])-[#6@:21](-[#6@:19])(-[#8:22]-[#16:23])-[H:41]>>[H]-[#8]-[#6@@:21](-[H:41])(-[#6@:11](-[#8:10])(-[H:33])-[#8:12])-[#6@:19].[H]-[#8:22]-[#16:23]

EVODEX.1-Em628 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:36]-[#6:38](-[#8:39]-[#16:40])-[#6:44]>>[H]-[#8]-[#6:38](-[#6:36])-[#6:44].[H]-[#8:39]-[#16:40]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm563 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:36]-[#6:38](-[#8:39]-[#16:40])-[#6:44]>>[H]-[#8]-[#6:38](-[#6:36])-[#6:44].[H]-[#8:39]-[#16:40]

Source Full Reactions

EVODEX.1-R5111

Full Reaction Rendering

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