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EVODEX.1-P2543

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:25]([C:26]([C:27]([C:28]([C:29]([C:30]([N:31]([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67]>>[H]N([H])C([H])([H])C([H])([H])C([H])([H])[N:25]([C:26]([C:27]([C:28]([C:29]([C:30]([N:31]([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67]

Derived Operators

EVODEX.1-F145 - Elemental Balance

C3
N1
H7

EVODEX.1-M249 - Mass Difference

57.05791000000001

EVODEX.1-E803 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:25](-[#6:26])(-[H:76])-[H]>>[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#7:25](-[#6:26])-[H:76])(-[H])-[H]

EVODEX.1-C396 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:34]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7:34]

EVODEX.1-N474 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:34](-[#6:33])-[H:58]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7:34](-[#6:33])-[H:58]

EVODEX.1-Em102 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:19]-[#6:20]>>[#6]-[#6](-[H])(-[H])-[#7:19]-[#6:20]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm135 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:19]-[#6:20]>>[#6]-[#6](-[H])(-[H])-[#7:19]-[#6:20]

Source Full Reactions

EVODEX.1-R3287

Full Reaction Rendering

[C:1]([S+:2]([C:3]([C:4]([C:5]([N:6]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[C:7]([C@@:8]1([H:40])[O:9][C@:10]([N:11]2:[C:12]([H:41]):[N:13]:[C:14]3:[C:15]([N:16]([H:42])[H:43]):[N:17]:[C:18]([H:44]):[N:19]:[C:20]:2:3)([H:45])[C@@:21]([O:22][H:46])([H:47])[C@@:23]1([O:24][H:48])[H:49])([H:50])[H:51])([H:52])([H:53])[H:54].[H][N:25]([C:26]([C:27]([C:28]([C:29]([C:30]([N:31]([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67]>>[C:3]([C:4]([C:5]([N:6]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([N:25]([C:26]([C:27]([C:28]([C:29]([C:30]([N:31]([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67])([H:38])[H:39].[C:1]([S:2][C:7]([C@@:8]1([H:40])[O:9][C@:10]([N:11]2:[C:12]([H:41]):[N:13]:[C:14]3:[C:15]([N:16]([H:42])[H:43]):[N:17]:[C:18]([H:44]):[N:19]:[C:20]:2:3)([H:45])[C@@:21]([O:22][H:46])([H:47])[C@@:23]1([O:24][H:48])[H:49])([H:50])[H:51])([H:52])([H:53])[H:54].[HH]

EVODEX.1-R3348

Full Reaction Rendering

[H][N:1]([C:2]([C:3]([C:4]([C:5]([C:6]([N:7]([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])[H:30].[N:8]([C:9]([C:10]([C:11]([C:12]([N:13]([C:14]([C:15]([C:16]([N:17]([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:45])[H:46])([H:47])[H:48])([H:49])[H:50]>>[H][N:13]([C:12]([C:11]([C:10]([C:9]([N:8]([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])[H:40].[N:1]([C:2]([C:3]([C:4]([C:5]([C:6]([N:7]([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([C:14]([C:15]([C:16]([N:17]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:30]