Acetaldehyde → HCID 59699297, compound
Reaction equation
[CH:42]([CH3:43])=[O:44].[Cl:45][CH2:46][Cl:47].[NH:1]1[CH2:2][CH2:3][CH:4]([CH2:7][c:8]2[n:9](-[c:28]3[cH:29][cH:30][c:31]([O:34][c:35]4[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]4)[cH:32][cH:33]3)[cH:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([O:17][CH2:18][CH2:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])[cH:26][cH:27]3)[n:12]2)[CH2:5][CH2:6]1>>[N:1]1([CH2:42][CH3:43])[CH2:2][CH2:3][CH:4]([CH2:7][c:8]2[n:9](-[c:28]3[cH:29][cH:30][c:31]([O:34][c:35]4[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]4)[cH:32][cH:33]3)[cH:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([O:17][CH2:18][CH2:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])[cH:26][cH:27]3)[n:12]2)[CH2:5][CH2:6]1Participants
4
Sources & evidence
- ORD record
- ord-b38f4112937c4e5488c521201abd2b60
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)