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EVODEX.1-P7118

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C@:3]([N:4]([C:5](=[O:6])[C:7]([C:8]([N:9]([H:53])[H:54])([C:10]([C:11](=[O:12])[O:13][H:55])([H:56])[H:57])[H:58])([H:59])[H:60])[H:61])([C:14](=[O:15])[O:16][H:62])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68]>>[H]OC(=O)C([H])([H])N([H])[C:14]([C@:3]([C:2]([C:1]([H:66])([H:67])[H:68])([H:64])[H:65])([N:4]([C:5](=[O:6])[C:7]([C:8]([N:9]([H:53])[H:54])([C:10]([C:11](=[O:12])[O:13][H:55])([H:56])[H:57])[H:58])([H:59])[H:60])[H:61])[H:63])=[O:15].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:16][H:62]

Derived Operators

EVODEX.1-F559 - Elemental Balance

P2
O11
C12
N6
H18

EVODEX.1-M527 - Mass Difference

484.05103999999994

EVODEX.1-E1382 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:105]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].[#8:44](-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H])-[H:105]

EVODEX.1-C815 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:7]-[#8:9]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:7].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:9]

EVODEX.1-N1026 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:7](-[#6@:5])(=[#8:8])-[#8:9]-[H:48]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:7](-[#6@:5])=[#8:8].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:9]-[H:48]

EVODEX.1-Em21 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:40]-[#6:42](=[#8:43])-[#8:44]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:44]

EVODEX.1-Cm35 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:42]-[#8:44]>>[#7]-[#6:42].[#15]-[#8:44]

EVODEX.1-Nm21 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:40]-[#6:42](=[#8:43])-[#8:44]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:44]

Source Full Reactions

EVODEX.1-R7705

Full Reaction Rendering

[C:1]([C:2]([C@:3]([N:4]([C:5](=[O:6])[C:7]([C:8]([N:9]([H:53])[H:54])([C:10]([C:11](=[O:12])[O:13][H:55])([H:56])[H:57])[H:58])([H:59])[H:60])[H:61])([C:14](=[O:15])[O:16][H:62])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68].[H][N:17]([C:18]([C:19](=[O:20])[O:21][H:69])([H:70])[H:71])[H:72].[N:22]([C:23]1:[N:24]:[C:25]([H:74]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:75]):[N:31]:2[C@:32]1([H:76])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:77])[O:40][P:41](=[O:42])([O:43][H:78])[O:44][P:45](=[O:46])([O:47][H:79])[O:48][H:80])([H:81])[H:82])([H:83])[C@:49]([O:50][H:84])([H:85])[C@:51]1([O:52][H:86])[H:87])([H:88])[H:89]>>[C:1]([C:2]([C@:3]([N:4]([C:5](=[O:6])[C:7]([C:8]([N:9]([H:53])[H:54])([C:10]([C:11](=[O:12])[O:13][H:55])([H:56])[H:57])[H:58])([H:59])[H:60])[H:61])([C:14](=[O:15])[N:17]([C:18]([C:19](=[O:20])[O:21][H:69])([H:70])[H:71])[H:72])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68].[O:16]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:83])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:74]):[N:24]:[C:23]([N:22]([H:88])[H:89]):[C:28]:3:[N:29]:[C:30]:2[H:75])([H:76])[C@@:51]([O:52][H:86])([H:87])[C@@:49]1([O:50][H:84])[H:85])([H:81])[H:82])(=[O:38])[O:39][H:77])(=[O:42])[O:43][H:78])[H:62].[H][O:44][P:45](=[O:46])([O:47][H:79])[O:48][H:80]