3-Benzylaminopropionamide → HCID 178440283, compound
Reaction equation
[CH2:71]([NH:72][CH2:73][CH2:74][C:75]([NH2:76])=[O:77])[c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[Cl:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]([O:57][CH:58]2[CH2:59][CH2:60][O:61][CH2:62][CH2:63]2)[c:9]([CH2:12][c:13]2[c:14]([O:21][CH:22]3[CH:23]([O:24][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH:31]([O:32][C:33]([C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH:39]([O:40][C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[CH:47]([CH2:49][O:50][C:51]([C:52]([CH3:53])([CH3:54])[CH3:55])=[O:56])[O:48]3)[n:15][nH:16][c:17]2[CH:18]([CH3:19])[CH3:20])[cH:10][cH:11]1.[NH2:64][C:65]([C:66](=[O:67])[NH2:68])([CH3:69])[CH3:70]>>[CH2:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]([O:57][CH:58]2[CH2:59][CH2:60][O:61][CH2:62][CH2:63]2)[c:9]([CH2:12][c:13]2[c:14]([O:21][CH:22]3[CH:23]([O:24][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH:31]([O:32][C:33]([C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH:39]([O:40][C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[CH:47]([CH2:49][O:50][C:51]([C:52]([CH3:53])([CH3:54])[CH3:55])=[O:56])[O:48]3)[n:15][nH:16][c:17]2[CH:18]([CH3:19])[CH3:20])[cH:10][cH:11]1)[NH:64][C:65]([C:66](=[O:67])[NH2:68])([CH3:69])[CH3:70]Participants
4
Sources & evidence
- ORD record
- ord-63aa3899f1414930a21f65bf2f9e0d32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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