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EVODEX.1-P176

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[C:2]1[O:3][C@@:4]([C:5]([O:6][H:41])([H:42])[H:43])([H:44])[C@:7]([O:8][C@:9]2([H:45])[O:10][C@@:11]([C:12]([O:13][H:46])([H:47])[H:48])([H:49])[C@:14]([O:15][H:50])([H:51])[C@@:16]([O:17][H:52])([H:53])[C@:18]2([O:19][H:54])[H:55])([H:56])[C@@:20]([O:21][H:57])([H:58])[C@:22]1([O:23][H:59])[H:60]>>[H][O:1][C@@:2]1([H])[O:3][C@@:4]([C:5]([O:6][H:41])([H:42])[H:43])([H:44])[C@:7]([O:8][C@:9]2([H:45])[O:10][C@@:11]([C:12]([O:13][H:46])([H:47])[H:48])([H:49])[C@:14]([O:15][H:50])([H:51])[C@@:16]([O:17][H:52])([H:53])[C@:18]2([O:19][H:54])[H:55])([H:56])[C@@:20]([O:21][H:57])([H:58])[C@:22]1([O:23][H:59])[H:60]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E8 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:49]=[#6:50](-[#6:51])-[#8:59]>>[#8:49](-[#6@@:50](-[H])(-[#6:51])-[#8:59])-[H]

EVODEX.1-C9 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-N1070 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:49]=[#6:50](-[#6:51])-[#8:59]>>[H]-[#8:49]-[#6@@:50](-[H])(-[#6:51])-[#8:59]

EVODEX.1-Em159 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:49]=[#6:50](-[#6:51])-[#8:59]>>[H]-[#8:49]-[#6:50](-[H])(-[#6:51])-[#8:59]

EVODEX.1-Cm28 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-Nm180 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:49]=[#6:50](-[#6:51])-[#8:59]>>[H]-[#8:49]-[#6:50](-[H])(-[#6:51])-[#8:59]

Source Full Reactions

EVODEX.1-R221

Full Reaction Rendering

[O:1]=[C:2]1[O:3][C@@:4]([C:5]([O:6][H:41])([H:42])[H:43])([H:44])[C@:7]([O:8][C@:9]2([H:45])[O:10][C@@:11]([C:12]([O:13][H:46])([H:47])[H:48])([H:49])[C@:14]([O:15][H:50])([H:51])[C@@:16]([O:17][H:52])([H:53])[C@:18]2([O:19][H:54])[H:55])([H:56])[C@@:20]([O:21][H:57])([H:58])[C@:22]1([O:23][H:59])[H:60].[H][O:24][C:25]1:[C:26]([H:61]):[C:27]([H:62]):[C:28]([N:29]([H])[C:30]2:[C:31]([H:63]):[C:32]([Cl:33]):[C:34]([O:35][H:64]):[C:36]([Cl:37]):[C:38]:2[H:65]):[C:39]([H:67]):[C:40]:1[H:68]>>[O:24]=[C:25]1[C:26]([H:61])=[C:27]([H:62])[C:28](=[N:29][C:30]2:[C:31]([H:63]):[C:32]([Cl:33]):[C:34]([O:35][H:64]):[C:36]([Cl:37]):[C:38]:2[H:65])[C:39]([H:67])=[C:40]1[H:68].[H][O:1][C@@:2]1([H])[O:3][C@@:4]([C:5]([O:6][H:41])([H:42])[H:43])([H:44])[C@:7]([O:8][C@:9]2([H:45])[O:10][C@@:11]([C:12]([O:13][H:46])([H:47])[H:48])([H:49])[C@:14]([O:15][H:50])([H:51])[C@@:16]([O:17][H:52])([H:53])[C@:18]2([O:19][H:54])[H:55])([H:56])[C@@:20]([O:21][H:57])([H:58])[C@:22]1([O:23][H:59])[H:60]