SMIRKS
[N:20]([C:21]1:[N:22]:[C:23]([H:68]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:69]):[N:29]:2[C@@:30]1([H:70])[O:31][C@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:71])[O:38][P:39](=[O:40])([O:41][H:72])[O:42][P:43](=[O:44])([O:45][H:73])[O:46][H:74])([H:75])[H:76])([H:77])[C@@:47]([O:48][P:49](=[O:50])([O:51][H:78])[O:52][H:79])([H:80])[C@@:53]1([O:54][H:81])[H:82])([H:83])[H:84]>>[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:43](=[O:44])([O:45][H:73])[O:46][H:74].[H][O:42][P:39]([O:38][P:35]([O:34][C:33]([C@:32]1([H:77])[O:31][C@@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:68]):[N:22]:[C:21]([N:20]([H:83])[H:84]):[C:26]:3:[N:27]:[C:28]:2[H:69])([H:70])[C@:53]([O:54][H:81])([H:82])[C@:47]1([O:48][P:49](=[O:50])([O:51][H:78])[O:52][H:79])[H:80])([H:75])[H:76])(=[O:36])[O:37][H:71])(=[O:40])[O:41][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-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-C1340 - Reaction Operator C
([#8:42]-[#15:43].[#6@@:47]-[#6@@:53])>>[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]-[#15:43].([H]-[#8:42].[#6@:53]-[#6@:47])
EVODEX.1-N1694 - Reaction Operator N
([#15:39]-[#8:42]-[#15:43](=[#8:44])(-[#8:45])-[#8:46].[#8:48]-[#6@:47](-[#6@:32])(-[H:80])-[#6@@:53](-[#6@@:30])(-[#8:54])-[H:82])>>[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]-[#15:43](=[#8:44])(-[#8:45])-[#8:46].([H]-[#8:42]-[#15:39].[#8:54]-[#6@@:53](-[#6@@:30])(-[H:82])-[#6@:47](-[#6@:32])(-[#8:48])-[H:80])
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-R4352
[H][O:15][C:14]([C@@:13]1([H:61])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:55]):[N:3]:[C:2]([N:1]([H:66])[H:67]):[C:7]:3:[N:8]:[C:9]:2[H:56])([H:57])[C@@:18]([O:19][H:64])([H:65])[C@@:16]1([O:17][H:62])[H:63])([H:59])[H:60].[N:20]([C:21]1:[N:22]:[C:23]([H:68]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:69]):[N:29]:2[C@@:30]1([H:70])[O:31][C@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:71])[O:38][P:39](=[O:40])([O:41][H:72])[O:42][P:43](=[O:44])([O:45][H:73])[O:46][H:74])([H:75])[H:76])([H:77])[C@@:47]([O:48][P:49](=[O:50])([O:51][H:78])[O:52][H:79])([H:80])[C@@:53]1([O:54][H:81])[H:82])([H:83])[H:84]>>[N:1]([C:2]1:[N:3]:[C:4]([H:55]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:56]):[N:10]:2[C@:11]1([H:57])[O:12][C@@:13]([C:14]([O:15][P:43](=[O:44])([O:45][H:73])[O:46][H:74])([H:59])[H:60])([H:61])[C@:16]([O:17][H:62])([H:63])[C@:18]1([O:19][H:64])[H:65])([H:66])[H:67].[H][O:42][P:39]([O:38][P:35]([O:34][C:33]([C@:32]1([H:77])[O:31][C@@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:68]):[N:22]:[C:21]([N:20]([H:83])[H:84]):[C:26]:3:[N:27]:[C:28]:2[H:69])([H:70])[C@:53]([O:54][H:81])([H:82])[C@:47]1([O:48][P:49](=[O:50])([O:51][H:78])[O:52][H:79])[H:80])([H:75])[H:76])(=[O:36])[O:37][H:71])(=[O:40])[O:41][H:72]