SMIRKS
[N:20]([C:21]1:[N:22]:[C:23]([H:59]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:60]):[N:29]:2[C@@:30]1([H:61])[C:31]([H:62])([H:63])[C@@:32]([O:33][H:64])([H:65])[C@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:66])[O:40][P:41](=[O:42])([O:43][H:67])[O:44][H:68])([H:69])[H:70])([H:71])[O:45]1)([H:72])[H:73]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])O[P:41](=[O:42])([O:43][H:67])[O:44][H:68].[H][O:40][P:37]([O:36][C:35]([C@:34]1([H:71])[C@:32]([O:33][H:64])([H:65])[C:31]([H:62])([H:63])[C@@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:59]):[N:22]:[C:21]([N:20]([H:72])[H:73]):[C:26]:3:[N:27]:[C:28]:2[H:60])([H:61])[O:45]1)([H:69])[H:70])(=[O:38])[O:39][H:66]
Derived Operators
EVODEX.1-F68 - Elemental Balance
| O | 4 |
| C | 10 |
| N | 5 |
| H | 13 |
EVODEX.1-M104 - Mass Difference
267.09689000000003
EVODEX.1-E614 - Reaction Operator E
[#8:24]-[#15:25](=[#8:26])(-[#8:27])-[#8:28]-[#15:29]>>[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15:25](-[#8:24])(=[#8:26])-[#8:27])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:28](-[#15:29])-[H]
EVODEX.1-C1080 - Reaction Operator C
([#8:23]-[#15:24].[#6@@:11])>>([H]-[#8:23].[#6@:11]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:24]
EVODEX.1-N1328 - Reaction Operator N
([#6:10]-[#6@@:11](-[#8:12])(-[H:56])-[#6@:13].[#15:20]-[#8:23]-[#15:24](=[#8:25])(-[#8:26])-[#8:27])>>([H]-[#8:23]-[#15:20].[#8:12]-[#6@@:11](-[#6@:13])(-[H:56])-[#6:10]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:24](=[#8:25])(-[#8:26])-[#8:27]
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-R3973
[H][O:15][C:14]([C@@:13]1([H:52])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:46]):[N:3]:[C:2]([N:1]([H:57])[H:58]):[C:7]:3:[N:8]:[C:9]:2[H:47])([H:48])[C@@:18]([O:19][H:55])([H:56])[C@@:16]1([O:17][H:53])[H:54])([H:50])[H:51].[N:20]([C:21]1:[N:22]:[C:23]([H:59]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:60]):[N:29]:2[C@@:30]1([H:61])[C:31]([H:62])([H:63])[C@@:32]([O:33][H:64])([H:65])[C@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:66])[O:40][P:41](=[O:42])([O:43][H:67])[O:44][H:68])([H:69])[H:70])([H:71])[O:45]1)([H:72])[H:73]>>[N:1]([C:2]1:[N:3]:[C:4]([H:46]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:47]):[N:10]:2[C@:11]1([H:48])[O:12][C@@:13]([C:14]([O:15][P:41](=[O:42])([O:43][H:67])[O:44][H:68])([H:50])[H:51])([H:52])[C@:16]([O:17][H:53])([H:54])[C@:18]1([O:19][H:55])[H:56])([H:57])[H:58].[H][O:40][P:37]([O:36][C:35]([C@:34]1([H:71])[C@:32]([O:33][H:64])([H:65])[C:31]([H:62])([H:63])[C@@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:59]):[N:22]:[C:21]([N:20]([H:72])[H:73]):[C:26]:3:[N:27]:[C:28]:2[H:60])([H:61])[O:45]1)([H:69])[H:70])(=[O:38])[O:39][H:66]