Ethanol → HCID 72321964, compound
Reaction equation
[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH2:12][CH2:13][CH:14]([n:17]2[n:18][c:19]([CH3:48])[cH:20][c:21]2[N:22]2[CH:23]([C:40]([NH:41][C:42]3([C:45]#[N:46])[CH2:43][CH2:44]3)=[O:47])[CH2:24][CH:25]([S:27](=[O:28])(=[O:29])[c:30]3[c:31]([C:36]([F:37])([F:38])[F:39])[cH:32][cH:33][cH:34][cH:35]3)[CH2:26]2)[CH2:15][CH2:16]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:49][CH2:50][OH:51]>>[NH:11]1[CH2:12][CH2:13][CH:14]([n:17]2[n:18][c:19]([CH3:48])[cH:20][c:21]2[N:22]2[CH:23]([C:40]([NH:41][C:42]3([C:45]#[N:46])[CH2:43][CH2:44]3)=[O:47])[CH2:24][CH:25]([S:27](=[O:28])(=[O:29])[c:30]3[c:31]([C:36]([F:37])([F:38])[F:39])[cH:32][cH:33][cH:34][cH:35]3)[CH2:26]2)[CH2:15][CH2:16]1Participants
3
Sources & evidence
- ORD record
- ord-ec289b64724f46b29ee40c555dbc679e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…