4-(2-(azepan-1-yl)ethoxy)benzaldehyde → HCID 66626422, compound
Reaction equation
[CH2:1]([CH3:2])[NH:3][c:4]1[c:5]([CH:12]2[CH2:13][c:14]3[cH:15][cH:16][c:17]([OH:22])[cH:18][c:19]3[CH2:20][CH2:21]2)[cH:6][c:7]([O:10][CH3:11])[cH:8][cH:9]1.[N:23]1([CH2:30][CH2:31][O:32][c:33]2[cH:34][cH:35][c:36]([CH:37]=[O:38])[cH:39][cH:40]2)[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1>>[CH2:1]([CH2:2][CH2:37][c:36]1[cH:35][cH:34][c:33]([O:32][CH2:31][CH2:30][N:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:40][cH:39]1)[NH:3][c:4]1[c:5]([CH:12]2[CH2:13][c:14]3[cH:15][cH:16][c:17]([OH:22])[cH:18][c:19]3[CH2:20][CH2:21]2)[cH:6][c:7]([O:10][CH3:11])[cH:8][cH:9]1Participants
3
Sources & evidence
- ORD record
- ord-823a9798d00e439fb32c6596c93cbc51
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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