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EVODEX.1-P4960

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C(=O)N([H])[C@]([H])(C(=O)[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:29]):[N:16]([H:30]):[C:17]2:[C:18]([H:31]):[C:19]([H:32]):[C:20]([H:33]):[C:21]([H:34]):[C:22]:1:2)([H:35])[H:36])([C:23](=[O:24])[O:25][H:37])[H:38])[H:39])C([H])([H])C([H])([H])SC([H])([H])[H]>>[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:29]):[N:16]([H:30]):[C:17]2:[C:18]([H:31]):[C:19]([H:32]):[C:20]([H:33]):[C:21]([H:34]):[C:22]:1:2)([H:35])[H:36])([C:23](=[O:24])[O:25][H:37])[H:38])[H:39]

Derived Operators

EVODEX.1-F486 - Elemental Balance

C-6
O-2
S-1
N-1
H-9

EVODEX.1-M463 - Mass Difference

-159.03547

EVODEX.1-E1302 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#16]-[#6](-[#6](-[#6@](-[#7](-[#6](=[#8])-[H])-[H])(-[#6](=[#8])-[#7:11](-[#6@@:12])-[H:55])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#7:11](-[#6@@:12])(-[H:55])-[H]

EVODEX.1-C575 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:11])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H]>>[H]-[#7:11]

EVODEX.1-N730 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:11](-[#6@@:12])-[H:34])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H]>>[H]-[#7:11](-[#6@@:12])-[H:34]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5743

Full Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[H:27])[H:28])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:29]):[N:16]([H:30]):[C:17]2:[C:18]([H:31]):[C:19]([H:32]):[C:20]([H:33]):[C:21]([H:34]):[C:22]:1:2)([H:35])[H:36])([C:23](=[O:24])[O:25][H:37])[H:38])[H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])([H:46])[H:47].[H][O:26][H:48]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[H:27])[H:28])([C:9](=[O:10])[O:26][H:48])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])([H:46])[H:47].[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:29]):[N:16]([H:30]):[C:17]2:[C:18]([H:31]):[C:19]([H:32]):[C:20]([H:33]):[C:21]([H:34]):[C:22]:1:2)([H:35])[H:36])([C:23](=[O:24])[O:25][H:37])[H:38])[H:39]