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EVODEX.1-P5788

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F37 - Elemental Balance

O-1
C-1

EVODEX.1-M56 - Mass Difference

-27.9949

EVODEX.1-E508 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#7:5](-[#6](=[#8])-[H])-[H:10]>>[#6:4]-[#7:5](-[H:10])-[H]

EVODEX.1-C107 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](=[#8])-[#7:4]>>[H]-[#7:4]

EVODEX.1-N303 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](=[#8])-[#7:4](-[#6:5])-[H:16]>>[H]-[#7:4](-[#6:5])-[H:16]

EVODEX.1-Em88 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6](=[#8])-[#7:4]-[#6:5]>>[H]-[#7:4]-[#6:5]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm124 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6](=[#8])-[#7:4]-[#6:5]>>[H]-[#7:4]-[#6:5]

Source Full Reactions

EVODEX.1-R6483

Full Reaction Rendering

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