SMIRKS
[H][N:9]([C:8]([C:7]([C:6]([C:5]([C:3]([C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])([O:4][H:50])[H:61])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([C:10](=[O:11])[O:12][H:53])[H:54])[H:51].[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])[O:37][P:38](=[O:39])([O:40][H:78])[O:41][P:42](=[O:43])([O:44][H:79])[O:45][H:80]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:9]([C:8]([C:7]([C:6]([C:5]([C:3]([C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])([O:4][H:50])[H:61])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([C:10](=[O:11])[O:12][H:53])[H:54])[H:51].[H][O:37][P:38](=[O:39])([O:40][H:78])[O:41][P:42](=[O:43])([O:44][H:79])[O:45][H:80]
Derived Operators
EVODEX.1-F450 - Elemental Balance
| P | -1 |
| O | -5 |
| C | -7 |
| N | -4 |
| H | -7 |
EVODEX.1-M433 - Mass Difference
-258.01550999999995
EVODEX.1-E1259 - Reaction Operator E
[#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])-[#8:37]-[#15:38])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#7:9](-[#6@:8])(-[H:75])-[H]>>[#7:9](-[#6@:8])(-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:75].[#8:37](-[#15:38])-[H]
EVODEX.1-C1027 - Reaction Operator C
[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])-[#8:37].[H]-[#7:9]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:9].[H]-[#8:37]
EVODEX.1-N1281 - Reaction Operator N
[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])-[#8:37]-[#15:38].[H]-[#7:9](-[#6@@:8])-[H:75]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:9](-[#6@@:8])-[H:75].[H]-[#8:37]-[#15:38]
EVODEX.1-Em27 - Reaction Operator Em
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
EVODEX.1-Nm27 - Reaction Operator Nm
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
Source Full Reactions
EVODEX.1-R7584
[H][N:9]([C:8]([C:7]([C:6]([C:5]([C:3]([C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])([O:4][H:50])[H:61])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([C:10](=[O:11])[O:12][H:53])[H:54])[H:51].[N:13]([C:14]([C:15]([C:16](=[O:17])[O:18][H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73].[N:19]([C:20]1:[N:21]:[C:22]([H:74]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:75]):[N:28]:2[C@:29]1([H:76])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:77])[O:37][P:38](=[O:39])([O:40][H:78])[O:41][P:42](=[O:43])([O:44][H:79])[O:45][H:80])([H:81])[H:82])([H:83])[C@:46]([O:47][H:84])([H:85])[C@:48]1([O:49][H:86])[H:87])([H:88])[H:89]>>[C:1]([C:2]([C:3]([O:4][H:50])([C:5]([C:6]([C:7]([C:8]([N:9]([C:16]([C:15]([C:14]([N:13]([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])=[O:17])[H:51])([C:10](=[O:11])[O:12][H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[O:18]([P:34]([O:33][C:32]([C@@:31]1([H:83])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:74]):[N:21]:[C:20]([N:19]([H:88])[H:89]):[C:25]:3:[N:26]:[C:27]:2[H:75])([H:76])[C@@:48]([O:49][H:86])([H:87])[C@@:46]1([O:47][H:84])[H:85])([H:81])[H:82])(=[O:35])[O:36][H:77])[H:67].[H][O:37][P:38](=[O:39])([O:40][H:78])[O:41][P:42](=[O:43])([O:44][H:79])[O:45][H:80]