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EVODEX.1-P5107

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:33]([C@@:34]([C:35]([H:64])([H:65])[H:66])([C:36]([N:37]([H:67])[H:68])=[O:38])[H:69])[H:70])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]>>[H][N:33]([C@@:34]([C:35]([H:64])([H:65])[H:66])([C:36]([N:37]([H:67])[H:68])=[O:38])[H:69])[H:70]

Derived Operators

EVODEX.1-F380 - Elemental Balance

O-5
C-19
N-8
H-34

EVODEX.1-M380 - Mass Difference

-454.2655199999999

EVODEX.1-E1174 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:28](-[#6@:26])(-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[#7](-[H])-[H])=[#8])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6](-[#7](-[H])-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H:117]>>[#7:28](-[#6@:26])(-[H:117])-[H]

EVODEX.1-C640 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:30])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]>>[H]-[#7:30]

EVODEX.1-N795 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:30](-[#6@:28])-[H:124])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]>>[H]-[#7:30](-[#6@:28])-[H:124]

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-R5878

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:40])([H:41])[H:42])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([H:43])[H:44])([H:45])[H:46])[H:47])([C:11](=[O:12])[N:13]([C@@:14]([C:15]([C:16]([C:17]([N:18]([H:48])[H:49])=[O:19])([H:50])[H:51])([H:52])[H:53])([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]([C:26]([N:27]([C:28](=[N:29][H:54])[N:30]([H:55])[H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([C:31](=[O:32])[N:33]([C@@:34]([C:35]([H:64])([H:65])[H:66])([C:36]([N:37]([H:67])[H:68])=[O:38])[H:69])[H:70])[H:71])[H:72])[H:73])[H:74])[H:75])([H:76])[H:77])[H:78])([H:79])([H:80])[H:81].[H][O:39][H:82]>>[C:1]([C:2]([C:3]([H:40])([H:41])[H:42])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([H:43])[H:44])([H:45])[H:46])[H:47])([C:11](=[O:12])[N:13]([C@@:14]([C:15]([C:16]([C:17]([N:18]([H:48])[H:49])=[O:19])([H:50])[H:51])([H:52])[H:53])([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]([C:26]([N:27]([C:28](=[N:29][H:54])[N:30]([H:55])[H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([C:31](=[O:32])[O:39][H:82])[H:71])[H:72])[H:73])[H:74])[H:75])([H:76])[H:77])[H:78])([H:79])([H:80])[H:81].[H][N:33]([C@@:34]([C:35]([H:64])([H:65])[H:66])([C:36]([N:37]([H:67])[H:68])=[O:38])[H:69])[H:70]