SMIRKS
[N:22]([C:23]1:[N:24]:[C:25]2:[C:26](:[N:27]:[C:28]([H:67]):[N:29]:2[C@@:30]2([H:68])[C:31]([H:69])([H:70])[C@@:32]([O:33][H:71])([H:72])[C@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:73])[O:40][P:41](=[O:42])([O:43][H:74])[O:44][P:45](=[O:46])([O:47][H:75])[O:48][H:76])([H:77])[H:78])([H:79])[O:49]2):[C:50](=[O:51]):[N:52]:1[H:80])([H:81])[H:82]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[P:45](=[O:46])([O:47][H:75])[O:48][H:76].[H][O:44][P:41]([O:40][P:37]([O:36][C:35]([C@:34]1([H:79])[C@:32]([O:33][H:71])([H:72])[C:31]([H:69])([H:70])[C@@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([N:22]([H:81])[H:82]):[N:52]([H:80]):[C:50](=[O:51]):[C:26]:3:[N:27]:[C:28]:2[H:67])([H:68])[O:49]1)([H:77])[H:78])(=[O:38])[O:39][H:73])(=[O:42])[O:43][H:74]
Derived Operators
EVODEX.1-F294 - Elemental Balance
| P | 1 |
| O | 8 |
| C | 9 |
| N | 3 |
| H | 14 |
EVODEX.1-M319 - Mass Difference
323.05192
EVODEX.1-E1060 - Reaction Operator E
[#15:38]-[#8:41]-[#15:42](=[#8:43])(-[#8:44])-[#8:45]>>[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[#15:42](=[#8:43])(-[#8:44])-[#8:45])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1)(-[H])-[H].[#15:38]-[#8:41]-[H]
EVODEX.1-C1098 - Reaction Operator C
([#8:44]-[#15:45].[#6@@:32])>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[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](=[#8])(-[#8]-[H])-[#8]-[#15:45].([H]-[#8:44].[#6@:32])
EVODEX.1-N1347 - Reaction Operator N
([#6:31]-[#6@@:32](-[#8:33])(-[H:72])-[#6@:34].[#15:41]-[#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48])>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[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](=[#8])(-[#8]-[H])-[#8]-[#15:45](=[#8:46])(-[#8:47])-[#8:48].([H]-[#8:44]-[#15:41].[#8:33]-[#6@@:32](-[#6@:34])(-[H:72])-[#6:31])
EVODEX.1-Em36 - Reaction Operator Em
[#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-Nm39 - Reaction Operator Nm
[#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-R4243
[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:60])[O:7][C@:6]([N:5]2:[C:4]([H:54]):[C:3]([H:53]):[C:2]([N:1]([H:65])[H:66]):[N:21]:[C:19]:2=[O:20])([H:55])[C@@:17]([O:18][H:63])([H:64])[C@@:15]1([O:16][H:61])[H:62])([H:58])[H:59])(=[O:12])[O:14][H:57].[N:22]([C:23]1:[N:24]:[C:25]2:[C:26](:[N:27]:[C:28]([H:67]):[N:29]:2[C@@:30]2([H:68])[C:31]([H:69])([H:70])[C@@:32]([O:33][H:71])([H:72])[C@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:73])[O:40][P:41](=[O:42])([O:43][H:74])[O:44][P:45](=[O:46])([O:47][H:75])[O:48][H:76])([H:77])[H:78])([H:79])[O:49]2):[C:50](=[O:51]):[N:52]:1[H:80])([H:81])[H:82]>>[N:1]([C:2]1:[C:3]([H:53]):[C:4]([H:54]):[N:5]([C@:6]2([H:55])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][P:45](=[O:46])([O:47][H:75])[O:48][H:76])[O:14][H:57])([H:58])[H:59])([H:60])[C@:15]([O:16][H:61])([H:62])[C@:17]2([O:18][H:63])[H:64]):[C:19](=[O:20]):[N:21]:1)([H:65])[H:66].[H][O:44][P:41]([O:40][P:37]([O:36][C:35]([C@:34]1([H:79])[C@:32]([O:33][H:71])([H:72])[C:31]([H:69])([H:70])[C@@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([N:22]([H:81])[H:82]):[N:52]([H:80]):[C:50](=[O:51]):[C:26]:3:[N:27]:[C:28]:2[H:67])([H:68])[O:49]1)([H:77])[H:78])(=[O:38])[O:39][H:73])(=[O:42])[O:43][H:74]