Hydrochloric Acid → HCID 57469091, compound
Reaction equation
[CH2:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[NH2:9].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[ClH:17].[F:18][C:19]([c:20]1[n:21][c:22](-[c:36]2[cH:37][c:38](-[c:42]3[cH:43][c:44]([S:48](=[O:49])(=[O:50])[Cl:51])[cH:45][cH:46][cH:47]3)[n:39][cH:40][cH:41]2)[n:23][c:24](-[c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[cH:25]1)([F:52])[F:53]>>[CH2:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[NH:9][S:48]([c:44]1[cH:43][c:42](-[c:38]2[cH:37][c:36](-[c:22]3[n:21][c:20]([C:19]([F:18])([F:52])[F:53])[cH:25][c:24](-[c:26]4[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[n:23]3)[cH:41][cH:40][n:39]2)[cH:47][cH:46][cH:45]1)(=[O:49])=[O:50]Participants
6
Sources & evidence
- ORD record
- ord-5bbf3266bd454f1e8d424ed47982ef83
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…