SMIRKS
[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])OP(=O)(O[H])OP(=O)(O[H])[O:40][P:41](=[O:42])([O:43][H:54])[O:44][H:55].[H]O[C:4]([C:3]([C:2]([N:1]([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])=[O:5]>>[H]OC(=O)[C@@]([H])(N([H])[C:4]([C:3]([C:2]([N:1]([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])=[O:5])C([H])([H])C1:C([H]):N:C([H]):N:1[H].[H][O:40][P:41](=[O:42])([O:43][H:54])[O:44][H:55]
Derived Operators
EVODEX.1-F555 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -4 |
| N | -2 |
| H | -6 |
EVODEX.1-M172 - Mass Difference
-271.95998000000003
EVODEX.1-E1377 - Reaction Operator E
[#6:8](-[#6@:6])(=[#8:9])-[#8]-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:44]-[#15:45])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:8](-[#6@:6])(=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:44](-[#15:45])-[H]
EVODEX.1-C793 - Reaction Operator C
[H]-[#8]-[#6:8].[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](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:44]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].[H]-[#8:44]
EVODEX.1-N1004 - Reaction Operator N
[H]-[#8]-[#6:8](-[#6@:6])=[#8:9].[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](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:44]-[#15:45]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8](-[#6@:6])=[#8:9])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].[H]-[#8:44]-[#15:45]
EVODEX.1-Em23 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
EVODEX.1-Nm23 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7561
[N:18]([C:19]1:[N:20]:[C:21]([H:49]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:50]):[N:27]:2[C@:28]1([H:51])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:52])[O:36][P:37](=[O:38])([O:39][H:53])[O:40][P:41](=[O:42])([O:43][H:54])[O:44][H:55])([H:56])[H:57])([H:58])[C@:45]([O:46][H:59])([H:60])[C@:47]1([O:48][H:61])[H:62])([H:63])[H:64].[N:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71].[H][N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:72]):[N:12]:[C:13]([H:73]):[N:14]:1[H:74])([H:75])[H:76])([C:15](=[O:16])[O:17][H:77])[H:78])[H:79]>>[N:1]([C:2]([C:3]([C:4](=[O:5])[N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:72]):[N:12]:[C:13]([H:73]):[N:14]:1[H:74])([H:75])[H:76])([C:15](=[O:16])[O:17][H:77])[H:78])[H:79])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71].[H][O:40][P:41](=[O:42])([O:43][H:54])[O:44][H:55].[O:6]([P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:58])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:49]):[N:20]:[C:19]([N:18]([H:63])[H:64]):[C:24]:3:[N:25]:[C:26]:2[H:50])([H:51])[C@@:47]([O:48][H:61])([H:62])[C@@:45]1([O:46][H:59])[H:60])([H:56])[H:57])(=[O:34])[O:35][H:52])(=[O:38])[O:39][H:53])[H:65]