EVODEX Logo

EVODEX.1-P3274

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[C:3]([H:46]):[C:4]([H:47]):[N:5]([C@:6]2([H:48])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:49])[O:14][P:15](=[O:16])([O:17][H:50])[O:18][P:19](=[O:20])([O:21][H:51])[O:22][H:52])([H:53])[H:54])([H:55])[C@:23]([O:24][H:56])([H:57])[C@:25]2([O:26][H:58])[H:59]):[C:27](=[O:28]):[N:29]:1)([H:60])[H:61]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:55])[O:7][C@:6]([N:5]2:[C:4]([H:47]):[C:3]([H:46]):[C:2]([N:1]([H:60])[H:61]):[N:29]:[C:27]:2=[O:28])([H:48])[C@@:25]([O:26][H:58])([H:59])[C@@:23]1([O:24][H:56])[H:57])([H:53])[H:54])(=[O:12])[O:13][H:49])(=[O:16])[O:17][H:50].[H]O[C@@]1([H])C([H])([H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])O[P:19](=[O:20])([O:21][H:51])[O:22][H:52]

Derived Operators

EVODEX.1-F407 - Elemental Balance

O4
C9
N3
H13

EVODEX.1-M398 - Mass Difference

227.09069

EVODEX.1-E1213 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:17]=[#15:18](-[#8:19])(-[#8:20])-[#8:21]-[#15:22]>>[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@@]2(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15:18](=[#8:17])(-[#8:19])-[#8:20])(-[H])-[H])(-[H])-[#8]-2):[#6](=[#8]):[#7]:1)(-[H])-[H].[#8:21](-[#15:22])-[H]

EVODEX.1-C1076 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:34]-[#15:35].[#6@:39]-[#6@:41])>>[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:35].([H]-[#8:34].[#6@@:41]-[#6@@:39])

EVODEX.1-N1326 - Reaction Operator N

Reaction Operator N SMIRKS

([#15:31]-[#8:34]-[#15:35](=[#8:36])(-[#8:37])-[#8:38].[#8:40]-[#6@@:39](-[#6@@:24])(-[H:70])-[#6@:41](-[#6@:22])(-[#8:42])-[H:72])>>[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:35](=[#8:36])(-[#8:37])-[#8:38].([H]-[#8:34]-[#15:31].[#8:42]-[#6@:41](-[#6@:22])(-[H:72])-[#6@@:39](-[#6@@:24])(-[#8:40])-[H:70])

EVODEX.1-Em9 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm10 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]

Source Full Reactions

EVODEX.1-R3915

Full Reaction Rendering

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