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EVODEX.1-P2574

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:34]([C:33]([C:32]([C:31]([N:30]([C:29]([C:28]([C:27]([C:26]([N:25]([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])[H:66])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])[H:58]>>[H]N([H])C([H])([H])C([H])([H])C([H])([H])[N:34]([C:33]([C:32]([C:31]([N:30]([C:29]([C:28]([C:27]([C:26]([N:25]([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])[H:66])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])[H:58]

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-R3313

Full Reaction Rendering

[C:1]([S+:2]([C:3]([C:4]([C:5]([N:6]([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])[C:7]([C@@:8]1([H:43])[O:9][C@:10]([N:11]2:[C:12]([H:44]):[N:13]:[C:14]3:[C:15]([N:16]([H:45])[H:46]):[N:17]:[C:18]([H:47]):[N:19]:[C:20]:2:3)([H:48])[C@@:21]([O:22][H:49])([H:50])[C@@:23]1([O:24][H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57].[H][N:34]([C:33]([C:32]([C:31]([N:30]([C:29]([C:28]([C:27]([C:26]([N:25]([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])[H:66])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])[H:58]>>[C:3]([C:4]([C:5]([N:6]([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([N:34]([C:33]([C:32]([C:31]([N:30]([C:29]([C:28]([C:27]([C:26]([N:25]([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])[H:66])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])[H:58])([H:41])[H:42].[C:1]([S:2][C:7]([C@@:8]1([H:43])[O:9][C@:10]([N:11]2:[C:12]([H:44]):[N:13]:[C:14]3:[C:15]([N:16]([H:45])[H:46]):[N:17]:[C:18]([H:47]):[N:19]:[C:20]:2:3)([H:48])[C@@:21]([O:22][H:49])([H:50])[C@@:23]1([O:24][H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57].[HH]