Butanal → HCID 59305475, compound
Reaction equation
[CH:46]([CH2:47][CH2:48][CH3:49])=[O:50].[NH2:1][c:2]1[cH:3][c:4](-[c:12]2[cH:13][cH:14][c:15]([CH2:18][c:19]3[n:20](-[c:32]4[cH:33][cH:34][c:35]([N:38]5[CH2:39][C:40](=[O:45])[NH:41][S:42]5(=[O:43])=[O:44])[cH:36][cH:37]4)[cH:21][c:22](-[c:24]4[c:25]([Cl:31])[cH:26][c:27]([Cl:30])[cH:28][cH:29]4)[n:23]3)[cH:16][cH:17]2)[cH:5][cH:6][c:7]1[CH2:8][CH:9]([CH3:10])[CH3:11]>>[NH:1]([c:2]1[cH:3][c:4](-[c:12]2[cH:13][cH:14][c:15]([CH2:18][c:19]3[n:20](-[c:32]4[cH:33][cH:34][c:35]([N:38]5[CH2:39][C:40](=[O:45])[NH:41][S:42]5(=[O:43])=[O:44])[cH:36][cH:37]4)[cH:21][c:22](-[c:24]4[c:25]([Cl:31])[cH:26][c:27]([Cl:30])[cH:28][cH:29]4)[n:23]3)[cH:16][cH:17]2)[cH:5][cH:6][c:7]1[CH2:8][CH:9]([CH3:10])[CH3:11])[CH2:46][CH2:47][CH2:48][CH3:49]Participants
3
Sources & evidence
- ORD record
- ord-e6010e7440cd480e9467431e299e89c9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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