SMIRKS
[N:20]([C:21]1:[N:22]:[C:23]([H:63]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:64]):[N:29]:2[C@@:30]1([H:65])[C:31]([H:66])([H:67])[C@@:32]([O:33][P:34](=[O:35])([O:36][H:68])[O:37][P:38](=[O:39])([O:40][H:69])[O:41][P:42](=[O:43])([O:44][H:70])[O:45][H:71])([H:72])[C@:46]([C:47]([O:48][H:73])([H:74])[H:75])([H:76])[O:49]1)([H:77])[H:78]>>[H]O[C@@]1([H])C([H])([H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])O[P:42](=[O:43])([O:44][H:70])[O:45][H:71].[H][O:41][P:38]([O:37][P:34]([O:33][C@@:32]1([H:72])[C:31]([H:66])([H:67])[C@@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:63]):[N:22]:[C:21]([N:20]([H:77])[H:78]):[C:26]:3:[N:27]:[C:28]:2[H:64])([H:65])[O:49][C@@:46]1([C:47]([O:48][H:73])([H:74])[H:75])[H:76])(=[O:35])[O:36][H:68])(=[O:39])[O:40][H:69]
Derived Operators
EVODEX.1-F68 - Elemental Balance
| O | 4 |
| C | 10 |
| N | 5 |
| H | 13 |
EVODEX.1-M104 - Mass Difference
267.09689000000003
EVODEX.1-E615 - Reaction Operator E
[#8:20]=[#15:21](-[#8:22])(-[#8:23])-[#8:24]-[#15:25]>>[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@@]2(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15:21](=[#8:20])(-[#8:22])-[#8:23])(-[H])-[H])(-[H])-[#8]-2):[#6](=[#8]):[#7]:1-[H])(-[H])-[H].[#8:24](-[#15:25])-[H]
EVODEX.1-C1297 - Reaction Operator C
([#8:41]-[#15:42].[#6@:46])>>[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:42].([H]-[#8:41].[#6@@:46])
EVODEX.1-N1618 - Reaction Operator N
([#15:38]-[#8:41]-[#15:42](=[#8:43])(-[#8:44])-[#8:45].[#6:47]-[#6@@:46](-[#6@@:32])(-[H:76])-[#8:49])>>[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:42](=[#8:43])(-[#8:44])-[#8:45].([H]-[#8:41]-[#15:38].[#8:49]-[#6@@:46](-[#6@@:32])(-[#6:47])-[H:76])
EVODEX.1-Em9 - Reaction Operator Em
[#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-Nm10 - Reaction Operator Nm
[#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-R3902
[H][O:15][C:14]([C@:13]1([H:59])[C@:11]([O:12][H:54])([H:55])[C:10]([H:52])([H:53])[C@@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:61])[H:62]):[N:19]([H:60]):[C:17](=[O:18]):[C:5]:3:[N:6]:[C:7]:2[H:50])([H:51])[O:16]1)([H:57])[H:58].[N:20]([C:21]1:[N:22]:[C:23]([H:63]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:64]):[N:29]:2[C@@:30]1([H:65])[C:31]([H:66])([H:67])[C@@:32]([O:33][P:34](=[O:35])([O:36][H:68])[O:37][P:38](=[O:39])([O:40][H:69])[O:41][P:42](=[O:43])([O:44][H:70])[O:45][H:71])([H:72])[C@:46]([C:47]([O:48][H:73])([H:74])[H:75])([H:76])[O:49]1)([H:77])[H:78]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:50]):[N:8]:2[C@@:9]2([H:51])[C:10]([H:52])([H:53])[C@@:11]([O:12][H:54])([H:55])[C@:13]([C:14]([O:15][P:42](=[O:43])([O:44][H:70])[O:45][H:71])([H:57])[H:58])([H:59])[O:16]2):[C:17](=[O:18]):[N:19]:1[H:60])([H:61])[H:62].[H][O:41][P:38]([O:37][P:34]([O:33][C@@:32]1([H:72])[C:31]([H:66])([H:67])[C@@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:63]):[N:22]:[C:21]([N:20]([H:77])[H:78]):[C:26]:3:[N:27]:[C:28]:2[H:64])([H:65])[O:49][C@@:46]1([C:47]([O:48][H:73])([H:74])[H:75])[H:76])(=[O:35])[O:36][H:68])(=[O:39])[O:40][H:69]