Acetaldehyde → HCID 66754895, compound
Reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH:43]([CH3:44])=[O:45].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([S:30](=[O:31])(=[O:32])[c:33]3[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]3)[c:7](=[O:29])[n:8]2[CH:9]([C:10]([N:11]2[CH2:12][CH:13]([N:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[CH2:14][CH2:15]2)=[O:22])[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:41][cH:42]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([S:30](=[O:31])(=[O:32])[c:33]3[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]3)[c:7](=[O:29])[n:8]2[CH:9]([C:10]([N:11]2[CH2:12][CH:13]([N:16]3[CH2:17][CH2:18][N:19]([CH2:43][CH3:44])[CH2:20][CH2:21]3)[CH2:14][CH2:15]2)=[O:22])[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:41][cH:42]1Participants
4
Sources & evidence
- ORD record
- ord-0ab0fa14bad3464f8e17aae507533eb7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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