Acetone → HCID 178474404, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7]2[c:8]([n:9]1)[c:10]([O:14][c:15]1[cH:16][c:17](-[c:21]3[c:22]([NH:31][C:32](=[O:33])[CH:34]4[NH:35][CH:36]([c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[CH2:37][CH2:38]4)[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[n:18][cH:19][n:20]1)[cH:11][cH:12][cH:13]2.[CH3:45][C:46]([CH3:47])=[O:48]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7]2[c:8]([n:9]1)[c:10]([O:14][c:15]1[cH:16][c:17](-[c:21]3[c:22]([NH:31][C:32](=[O:33])[CH:34]4[N:35]([CH:46]([CH3:45])[CH3:47])[CH:36]([c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[CH2:37][CH2:38]4)[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[n:18][cH:19][n:20]1)[cH:11][cH:12][cH:13]2Participants
3
Sources & evidence
- ORD record
- ord-3092e810084f4752824b2ac50cb7ada0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…