Ethanol → 1-formyl-7-(4-methylphenyl)-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 1133185Notes

Reaction equation

HRID 1133185 reaction equation
[B:1]([O-:2])([O-:10])[O:11][c:3]1[cH:4][cH:5][c:6]([CH3:9])[cH:7][cH:8]1.[Br:12][c:13]1[cH:14][cH:15][c:16]2[c:17]([cH:43]1)[CH:18]=[C:19]([C:25](=[O:26])[NH:27][c:28]1[cH:29][cH:30][c:31]([CH2:34][N:35]([CH:36]3[CH2:37][CH2:38][O:39][CH2:40][CH2:41]3)[CH3:42])[cH:32][cH:33]1)[CH2:20][CH2:21][N:22]2[CH:23]=[O:24].[C:44](=[O:45])([O-:46])[O-:47].[CH2:57]([OH:58])[CH3:59].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[K+:48].[K+:49].[OH2:60].[c:50]1([CH3:51])[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[c:3]1(-[c:13]2[cH:14][cH:15][c:16]3[c:17]([cH:43]2)[CH:18]=[C:19]([C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][c:31]([CH2:34][N:35]([CH:36]4[CH2:37][CH2:38][O:39][CH2:40][CH2:41]4)[CH3:42])[cH:32][cH:33]2)[CH2:20][CH2:21][N:22]3[CH:23]=[O:24])[cH:4][cH:5][c:6]([CH3:9])[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 22329057HCID 22329057, compoundHCID 866453334-Methylphenyl borate

Product 1

HCID 184726701-formyl-7-(4-methylphenyl)-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-396bbb0ee97f4f5d82c4915429e24fce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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