1-Amino-3-phenoxypropan-2-ol → HCID 178444751, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[NH:7][C:8]1=[N:12][C:11](=[O:13])[C:10](=[CH:14][c:15]2[cH:16][cH:17][c:18]([N:21]3[CH2:22][CH2:23][C:24](=[O:27])[CH2:25][CH2:26]3)[cH:19][cH:20]2)[S:9]1.[NH2:28][CH2:29][CH:30]([CH2:31][O:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[OH:39]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[NH:7][C:8]1=[N:12][C:11](=[O:13])[C:10](=[CH:14][c:15]2[cH:16][cH:17][c:18]([N:21]3[CH2:22][CH2:23][CH:24]([NH:28][CH2:29][CH:30]([CH2:31][O:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[OH:39])[CH2:25][CH2:26]3)[cH:19][cH:20]2)[S:9]1Participants
3
Sources & evidence
- ORD record
- ord-4fce5abd2694427c8814ec7afcc583c6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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