SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([C:14](=[O:15])[C@@:16]([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22]([N:23]([H:66])[H:67])=[O:24])([H:68])[H:69])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([C:31]([C:32]([N:33]([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([N:34]([C:35](=[O:36])[C@@:37]([N:38]([H:80])[H:81])([C:39]([O:40][H:82])([H:83])[H:84])[H:85])[H:86])[H:87])[H:88])[H:89])[H:90])([C@@:41]([C:42]([H:91])([H:92])[H:93])([C:43]([C:44]([H:94])([H:95])[H:96])([H:97])[H:98])[H:99])[H:100])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H].[H][O:55][H:119]>>[C:14](=[O:15])([C@@:16]([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22]([N:23]([H:66])[H:67])=[O:24])([H:68])[H:69])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([C:31]([C:32]([N:33]([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([N:34]([C:35](=[O:36])[C@@:37]([N:38]([H:80])[H:81])([C:39]([O:40][H:82])([H:83])[H:84])[H:85])[H:86])[H:87])[H:88])[H:89])[H:90])([C@@:41]([C:42]([H:91])([H:92])[H:93])([C:43]([C:44]([H:94])([H:95])[H:96])([H:97])[H:98])[H:99])[H:100])[O:55][H:119]
Derived Operators
EVODEX.1-F534 - Elemental Balance
| O | -4 |
| C | -16 |
| N | -3 |
| H | -29 |
EVODEX.1-M506 - Mass Difference
-327.21597
EVODEX.1-E1353 - Reaction Operator E
[#6](-[#6](-[#6@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6:14](=[#8:15])-[#6@:16])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8:55](-[H:113])-[H]>>[#6:14](=[#8:15])(-[#6@:16])-[#8:55]-[H:113]
EVODEX.1-C665 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:54]>>[#6:14]-[#8:54]
EVODEX.1-N822 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14](=[#8:15])-[#6@@:16])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:54]-[H:117]>>[#6:14](=[#8:15])(-[#6@@:16])-[#8:54]-[H:117]
EVODEX.1-Em52 - Reaction Operator Em
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
EVODEX.1-Nm59 - Reaction Operator Nm
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
Source Full Reactions
EVODEX.1-R6068
[C:1]([C:2]([C@:3]([C:4]([H:56])([H:57])[H:58])([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:59])[C:10]([H:60])([H:61])[C:11]([H:62])([H:63])[C:12]([H:64])([H:65])[N:13]1[C:14](=[O:15])[C@@:16]([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22]([N:23]([H:66])[H:67])=[O:24])([H:68])[H:69])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([C:31]([C:32]([N:33]([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([N:34]([C:35](=[O:36])[C@@:37]([N:38]([H:80])[H:81])([C:39]([O:40][H:82])([H:83])[H:84])[H:85])[H:86])[H:87])[H:88])[H:89])[H:90])([C@@:41]([C:42]([H:91])([H:92])[H:93])([C:43]([C:44]([H:94])([H:95])[H:96])([H:97])[H:98])[H:99])[H:100])[H:101])([C:45](=[O:46])[N:47]([C@:48]([C:49](=[O:50])[O:51][H:102])([C:52]([C:53]([H:103])([H:104])[H:105])([C:54]([H:106])([H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])([H:114])[H:115])([H:116])([H:117])[H:118].[H][O:55][H:119]>>[C:14](=[O:15])([C@@:16]([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22]([N:23]([H:66])[H:67])=[O:24])([H:68])[H:69])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([C:31]([C:32]([N:33]([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([N:34]([C:35](=[O:36])[C@@:37]([N:38]([H:80])[H:81])([C:39]([O:40][H:82])([H:83])[H:84])[H:85])[H:86])[H:87])[H:88])[H:89])[H:90])([C@@:41]([C:42]([H:91])([H:92])[H:93])([C:43]([C:44]([H:94])([H:95])[H:96])([H:97])[H:98])[H:99])[H:100])[O:55][H:119].[H][N:13]1[C@@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:116])([H:117])[H:118])([H:114])[H:115])([C:4]([H:56])([H:57])[H:58])[H:113])([C:45](=[O:46])[N:47]([C@:48]([C:49](=[O:50])[O:51][H:102])([C:52]([C:53]([H:103])([H:104])[H:105])([C:54]([H:106])([H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:101])=[O:8])([H:59])[C:10]([H:60])([H:61])[C:11]([H:62])([H:63])[C:12]1([H:64])[H:65]