Acetaldehyde → 1-Cyanoethyl 4-(hexadecylamino)benzoate
Reaction equation
[CH2:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])[NH:33][c:34]1[cH:35][cH:36][c:37]([C:38](=[O:39])[Cl:40])[cH:41][cH:42]1.[CH:13]([CH3:14])=[O:15].[CH:4]([N:5]([CH:6]([CH3:7])[CH3:8])[CH2:9][CH3:10])([CH3:11])[CH3:12].[ClH:16].[K:1][C:2]#[N:3].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[C:2](#[N:3])[CH:13]([CH3:14])[O:15][C:38]([c:37]1[cH:36][cH:35][c:34]([NH:33][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])[cH:42][cH:41]1)=[O:39]Participants
7
Sources & evidence
- ORD record
- ord-cecbf0a719a34320bdfe343673df2b19
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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