SMIRKS
[H]N=C1:N([H]):C(=O):C2:N:C([H]):N([C@]3([H])O[C@]([H])(C([H])([H])OP(=O)(O[H])[O:18][P:19](=[O:20])([O:21][H:61])[O:22][H:62])[C@@]([H])(O[H])[C@@]3([H])O[H]):C:2:N:1[H]>>[H][O:18][P:19](=[O:20])([O:21][H:61])[O:22][H:62]
Derived Operators
EVODEX.1-F217 - Elemental Balance
| P | -1 |
| O | -7 |
| C | -10 |
| N | -5 |
| H | -12 |
EVODEX.1-M132 - Mass Difference
-345.0475599999999
EVODEX.1-E925 - Reaction Operator E
[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:17]-[#15:18])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H])(-[H])-[H]>>[#8:17](-[#15:18])-[H]
EVODEX.1-C476 - Reaction Operator C
[H]-[#7]=[#6]1:[#7](-[H]):[#6](=[#8]):[#6]2:[#7]:[#6](-[H]):[#7](-[#6@]3(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-3(-[H])-[#8]-[H]):[#6]:2:[#7]:1-[H]>>[H]-[#8:18]
EVODEX.1-N580 - Reaction Operator N
[H]-[#7]=[#6]1:[#7](-[H]):[#6](=[#8]):[#6]2:[#7]:[#6](-[H]):[#7](-[#6@]3(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18]-[#15:19])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-3(-[H])-[#8]-[H]):[#6]:2:[#7]:1-[H]>>[H]-[#8:18]-[#15:19]
EVODEX.1-Em35 - Reaction Operator Em
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
EVODEX.1-Nm37 - Reaction Operator Nm
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
Source Full Reactions
EVODEX.1-R5044
[N:1](=[C:2]1:[N:3]([H:30]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:31]):[N:9]([C@:10]3([H:32])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:33])[O:18][P:19](=[O:20])([O:21][H:34])[O:22][H:35])([H:36])[H:37])([H:38])[C@:23]([O:24][H:39])([H:40])[C@:25]3([O:26][H:41])[H:42]):[C:27]:2:[N:28]:1[H:43])[H:44].[H][O:29][H:45]>>[N:1](=[C:2]1:[N:3]([H:30]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:31]):[N:9]([C@:10]3([H:32])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:33])[O:29][H:45])([H:36])[H:37])([H:38])[C@:23]([O:24][H:39])([H:40])[C@:25]3([O:26][H:41])[H:42]):[C:27]:2:[N:28]:1[H:43])[H:44].[H][O:18][P:19](=[O:20])([O:21][H:34])[O:22][H:35]
EVODEX.1-R4450
[N:1](=[C:2]1:[N:3]([H:57]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:58]):[N:9]([C@:10]3([H:59])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:60])[O:18][P:19](=[O:20])([O:21][H:61])[O:22][H:62])([H:63])[H:64])([H:65])[C@:23]([O:24][H:66])([H:67])[C@:25]3([O:26][H:68])[H:69]):[C:27]:2:[N:28]:1[H:70])[H:71].[H][O:49][P:47]([O:46][P:43]([O:42][C:41]([C@@:40]1([H:80])[O:39][C@:38]([N:37]2:[C:36]([H:73]):[N:35]:[C:34]3:[C:32](=[O:33]):[N:31]([H:72]):[C:30](=[N:29][H:86]):[N:56]([H:85]):[C:55]:3:2)([H:74])[C@@:53]([O:54][H:83])([H:84])[C@@:51]1([O:52][H:81])[H:82])([H:78])[H:79])(=[O:44])[O:45][H:75])(=[O:48])[O:50][H:77]>>[N:1](=[C:2]1:[N:3]([H:57]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:58]):[N:9]([C@:10]3([H:59])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:60])[O:49][P:47]([O:46][P:43]([O:42][C:41]([C@@:40]4([H:80])[O:39][C@:38]([N:37]5:[C:36]([H:73]):[N:35]:[C:34]6:[C:32](=[O:33]):[N:31]([H:72]):[C:30](=[N:29][H:86]):[N:56]([H:85]):[C:55]:6:5)([H:74])[C@@:53]([O:54][H:83])([H:84])[C@@:51]4([O:52][H:81])[H:82])([H:78])[H:79])(=[O:44])[O:45][H:75])(=[O:48])[O:50][H:77])([H:63])[H:64])([H:65])[C@:23]([O:24][H:66])([H:67])[C@:25]3([O:26][H:68])[H:69]):[C:27]:2:[N:28]:1[H:70])[H:71].[H][O:18][P:19](=[O:20])([O:21][H:61])[O:22][H:62]