SMIRKS
[N:20]([C:21]1:[N:22]:[C:23]([H:64]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:65]):[N:29]:2[C@:30]1([H:66])[O:31][C@@:32]([C:33]([O:34][H:67])([H:68])[H:69])([H:70])[C@:35]([O:36][P:37](=[O:38])([O:39][H:71])[O:40][P:41](=[O:42])([O:43][H:72])[O:44][P:45](=[O:46])([O:47][H:73])[O:48][H:74])([H:75])[C@@:49]1([F:50])[H:76])([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:45](=[O:46])([O:47][H:73])[O:48][H:74].[H][O:44][P:41]([O:40][P:37]([O:36][C@:35]1([H:75])[C@:32]([C:33]([O:34][H:67])([H:68])[H:69])([H:70])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:64]):[N:22]:[C:21]([N:20]([H:77])[H:78]):[C:26]:3:[N:27]:[C:28]:2[H:65])([H:66])[C@:49]1([F:50])[H:76])(=[O:38])[O:39][H:71])(=[O:42])[O:43][H:72]
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-C1296 - Reaction Operator C
([#8:44]-[#15:45].[#6@@:32].[#6@@: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]-[#15:45].([H]-[#8:44].[#6@:32].[#6@:49])
EVODEX.1-N1617 - Reaction Operator N
([#8:31]1-[#6@:30]-[#6@:49](-[#6@:35]-[#6@:32]-1(-[#6:33])-[H:70])(-[#9:50])-[H:76].[#15:41]-[#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48])>>[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]-[#15:45](=[#8:46])(-[#8:47])-[#8:48].([H]-[#8:44]-[#15:41].[#6:33]-[#6@@:32]1(-[#6@:35]-[#6@@:49](-[#6@:30]-[#8:31]-1)(-[#9:50])-[H:76])-[H:70])
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-R3901
[H][O:15][C:14]([C@:13]1([H:60])[C@:11]([O:12][H:55])([H:56])[C:10]([H:53])([H:54])[C@@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:62])[H:63]):[N:19]([H:61]):[C:17](=[O:18]):[C:5]:3:[N:6]:[C:7]:2[H:51])([H:52])[O:16]1)([H:58])[H:59].[N:20]([C:21]1:[N:22]:[C:23]([H:64]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:65]):[N:29]:2[C@:30]1([H:66])[O:31][C@@:32]([C:33]([O:34][H:67])([H:68])[H:69])([H:70])[C@:35]([O:36][P:37](=[O:38])([O:39][H:71])[O:40][P:41](=[O:42])([O:43][H:72])[O:44][P:45](=[O:46])([O:47][H:73])[O:48][H:74])([H:75])[C@@:49]1([F:50])[H:76])([H:77])[H:78]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:51]):[N:8]:2[C@@:9]2([H:52])[C:10]([H:53])([H:54])[C@@:11]([O:12][H:55])([H:56])[C@:13]([C:14]([O:15][P:45](=[O:46])([O:47][H:73])[O:48][H:74])([H:58])[H:59])([H:60])[O:16]2):[C:17](=[O:18]):[N:19]:1[H:61])([H:62])[H:63].[H][O:44][P:41]([O:40][P:37]([O:36][C@:35]1([H:75])[C@:32]([C:33]([O:34][H:67])([H:68])[H:69])([H:70])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:64]):[N:22]:[C:21]([N:20]([H:77])[H:78]):[C:26]:3:[N:27]:[C:28]:2[H:65])([H:66])[C@:49]1([F:50])[H:76])(=[O:38])[O:39][H:71])(=[O:42])[O:43][H:72]