Ethanol → 2-(3-hydroxypropyl)-8-(8-azidooctyloxy)-2,3,4,5-tetrahydro-1H-2-benzazepin-1-one
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[N:4]1[C:5](=[O:27])[c:6]2[c:7]([cH:11][cH:12][c:13]([O:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][N:24]=[N+:25]=[N-:26])[cH:14]2)[CH2:8][CH2:9][CH2:10]1.[CH3:62][CH2:63][OH:64].[CH:28]1([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[BH:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[Na+:47].[Na+:55].[Na+:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH-:46].[OH:48][OH:49].[S:50]([O-:51])(=[O:52])([O-:53])=[S:54]>>[CH2:1]([CH2:2][CH2:3][OH:52])[N:4]1[C:5](=[O:27])[c:6]2[c:7]([cH:11][cH:12][c:13]([O:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][N:24]=[N+:25]=[N-:26])[cH:14]2)[CH2:8][CH2:9][CH2:10]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-d34137f239414aff9bd101f16c3cffb2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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