N-Phenyl diethanolamine → HCID 178434830, compound
Reaction equation
[NH2:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][c:7]1[cH:8][c:9]([Br:28])[c:10]([O:13][CH2:14][CH2:15][c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[o:19][c:20]2[CH3:21])[cH:11][cH:12]1.[c:29]1([N:35]([CH2:36][CH2:37][OH:41])[CH2:39][CH2:40][OH:38])[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[N:1]1([CH:2]([C:3](=[O:4])[OH:5])[CH2:6][c:7]2[cH:8][c:9]([Br:28])[c:10]([O:13][CH2:14][CH2:15][c:16]3[n:17][c:18](-[c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[o:19][c:20]3[CH3:21])[cH:11][cH:12]2)[CH2:37][CH2:36][N:35]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:39][CH2:40]1Participants
3
Sources & evidence
- ORD record
- ord-5154395668d14976bfa20a19b2c82101
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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