SMIRKS
[H]O[C:41]([C@:21]([C:20]([C:19]([C:18]([N:17]([C:15](=[N:14][H:78])[N:16]([H:53])[H:54])[H:77])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([N:22]([C:23](=[O:24])[C:25]([N:26]([C:27](=[O:28])[C:29]([N:30]([C:31](=[O:32])[O:33][C:34]([C:35]1:[C:36]([H:55]):[C:37]([H:56]):[C:38]([H:57]):[C:39]([H:58]):[C:40]:1[H:59])([H:60])[H:61])[H:62])([H:63])[H:64])[H:65])([H:66])[H:67])[H:68])[H:70])=[O:42]>>[H]C1:C(N([H])[C:41]([C@:21]([C:20]([C:19]([C:18]([N:17]([C:15](=[N:14][H:78])[N:16]([H:53])[H:54])[H:77])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([N:22]([C:23](=[O:24])[C:25]([N:26]([C:27](=[O:28])[C:29]([N:30]([C:31](=[O:32])[O:33][C:34]([C:35]2:[C:36]([H:55]):[C:37]([H:56]):[C:38]([H:57]):[C:39]([H:58]):[C:40]:2[H:59])([H:60])[H:61])[H:62])([H:63])[H:64])[H:65])([H:66])[H:67])[H:68])[H:70])=[O:42]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H]
Derived Operators
EVODEX.1-F211 - Elemental Balance
| O | 1 |
| C | 10 |
| N | 1 |
| H | 7 |
EVODEX.1-M282 - Mass Difference
157.05281
EVODEX.1-E918 - Reaction Operator E
[#8:14]=[#6:15](-[#8]-[H])-[#6:17]>>[#6](-[#6]1:[#6](-[H]):[#6](=[#8]):[#8]:[#6]2:[#6](-[H]):[#6](-[#7](-[#6:15](=[#8:14])-[#6:17])-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])(-[H])-[H]
EVODEX.1-C627 - Reaction Operator C
[H]-[#8]-[#6:48]>>[H]-[#6]1:[#6](-[#7](-[H])-[#6:48]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H]
EVODEX.1-N782 - Reaction Operator N
[H]-[#8]-[#6:48](-[#6@@:40])=[#8:49]>>[H]-[#6]1:[#6](-[#7](-[H])-[#6:48](-[#6@@:40])=[#8:49]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H]
EVODEX.1-Em11 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm11 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5862
[H][N:10]([C:9]1:[C:8]([H:45]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:44]):[C:2]([C:1]([H:50])([H:51])[H:52]):[C:13]:2:[C:12]([H:49]):[C:11]:1[H:48])[H:46].[N:14](=[C:15]([N:16]([H:53])[H:54])[N:17]([C:18]([C:19]([C:20]([C@:21]([N:22]([C:23](=[O:24])[C:25]([N:26]([C:27](=[O:28])[C:29]([N:30]([C:31](=[O:32])[O:33][C:34]([C:35]1:[C:36]([H:55]):[C:37]([H:56]):[C:38]([H:57]):[C:39]([H:58]):[C:40]:1[H:59])([H:60])[H:61])[H:62])([H:63])[H:64])[H:65])([H:66])[H:67])[H:68])([C:41](=[O:42])[O:43][H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])[H:77])[H:78]>>[C:1]([C:2]1:[C:3]([H:44]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:45]):[C:9]([N:10]([C:41]([C@:21]([C:20]([C:19]([C:18]([N:17]([C:15](=[N:14][H:78])[N:16]([H:53])[H:54])[H:77])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([N:22]([C:23](=[O:24])[C:25]([N:26]([C:27](=[O:28])[C:29]([N:30]([C:31](=[O:32])[O:33][C:34]([C:35]3:[C:36]([H:55]):[C:37]([H:56]):[C:38]([H:57]):[C:39]([H:58]):[C:40]:3[H:59])([H:60])[H:61])[H:62])([H:63])[H:64])[H:65])([H:66])[H:67])[H:68])[H:70])=[O:42])[H:46]):[C:11]([H:48]):[C:12]([H:49]):[C:13]:1:2)([H:50])([H:51])[H:52].[H][O:43][H:69]