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EVODEX.1-P3537

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:54]):[N:8]:2[C@:9]2([H:55])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:56])[O:17][P:18](=[O:19])([O:20][H:57])[O:21][P:22](=[O:23])([O:24][H:58])[O:25][H:59])([H:60])[H:61])([H:62])[C@:26]([O:27][H:63])([H:64])[C@:28]2([O:29][H:65])[H:66]):[C:30](=[O:31]):[N:32]:1[H:67])([H:68])[H:69]>>[H][O:21][P:18]([O:17][P:14]([O:13][C:12]([C@@:11]1([H:62])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:68])[H:69]):[N:32]([H:67]):[C:30](=[O:31]):[C:5]:3:[N:6]:[C:7]:2[H:54])([H:55])[C@@:28]([O:29][H:65])([H:66])[C@@:26]1([O:27][H:63])[H:64])([H:60])[H:61])(=[O:15])[O:16][H:56])(=[O:19])[O:20][H:57].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[P:22](=[O:23])([O:24][H:58])[O:25][H:59]

Derived Operators

EVODEX.1-F292 - Elemental Balance

P1
O9
C9
N2
H13

EVODEX.1-M318 - Mass Difference

324.03589

EVODEX.1-E1057 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H].[#8:11](-[#15:12])-[H]

EVODEX.1-C1333 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:21]-[#15:22].[#6@:26]-[#6@:28])>>([H]-[#8:21].[#6@@:28]-[#6@@:26]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:22]

EVODEX.1-N1680 - Reaction Operator N

Reaction Operator N SMIRKS

([#15:18]-[#8:21]-[#15:22](=[#8:23])(-[#8:24])-[#8:25].[#8:27]-[#6@@:26](-[#6@@:11])(-[H:64])-[#6@:28](-[#6@:9])(-[#8:29])-[H:66])>>([H]-[#8:21]-[#15:18].[#8:29]-[#6@:28](-[#6@:9])(-[H:66])-[#6@@:26](-[#6@@:11])(-[#8:27])-[H:64]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:22](=[#8:23])(-[#8:24])-[#8:25]

EVODEX.1-Em36 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:7]-[#15:8]>>[H]-[#8:7].[#8]-[#15:8]

EVODEX.1-Nm39 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]

Source Full Reactions

EVODEX.1-R4241

Full Reaction Rendering

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