Acetone → HCID 53715258, compound
Reaction equation
[CH3:2][CH:3]([CH2:4][O:5][C:6](=[O:7])[CH2:8][N:9]([c:10]1[cH:11][c:12]2[c:13]([n:14]([CH3:27])[c:15]([CH2:17][c:18]3[cH:19][cH:20][c:21]([C:22](=[NH:23])[NH2:24])[cH:25][cH:26]3)[n:16]2)[cH:28][cH:29]1)[S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][cH:36][c:37]2[cH:38][cH:39][cH:40][n:41][c:42]12)[CH3:43].[CH3:50][C:51]([CH3:52])=[O:53].[Cl:44][C:45](=[O:46])[O:47][CH3:48].[ClH:1].[OH2:49]>>[CH3:2][CH:3]([CH2:4][O:5][C:6](=[O:7])[CH2:8][N:9]([c:10]1[cH:11][c:12]2[c:13]([n:14]([CH3:27])[c:15]([CH2:17][c:18]3[cH:19][cH:20][c:21]([C:22](=[N:23][C:45](=[O:46])[O:47][CH3:48])[NH2:24])[cH:25][cH:26]3)[n:16]2)[cH:28][cH:29]1)[S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][cH:36][c:37]2[cH:38][cH:39][cH:40][n:41][c:42]12)[CH3:43]Participants
6
Sources & evidence
- ORD record
- ord-df2b14a6fd134b6db7c1cccc9916fd1b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…