Ethanol → HCID 69353790, compound

HRID 1128953Notes

Reaction equation

HRID 1128953 reaction equation
[B:1]([O-:2])([O-:10])[O:11][c:3]1[s:4][cH:5][c:6]([CH2:8][CH3:9])[cH:7]1.[Br:12][c:13]1[cH:14][cH:15][c:16]2[c:17]([cH:42]1)[CH:18]=[C:19]([C:24](=[O:25])[NH:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][N:34]([CH:35]3[CH2:36][CH2:37][O:38][CH2:39][CH2:40]3)[CH3:41])[cH:31][cH:32]1)[CH2:20][CH2:21][N:22]2[CH3:23].[C:43](=[O:44])([O-:45])[O-:46].[CH2:56]([OH:57])[CH3:58].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[K+:47].[K+:48].[OH2:59].[c:49]1([CH3:50])[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[c:3]1(-[c:13]2[cH:14][cH:15][c:16]3[c:17]([cH:42]2)[CH:18]=[C:19]([C:24](=[O:25])[NH:26][c:27]2[cH:28][cH:29][c:30]([CH2:33][N:34]([CH:35]4[CH2:36][CH2:37][O:38][CH2:39][CH2:40]4)[CH3:41])[cH:31][cH:32]2)[CH2:20][CH2:21][N:22]3[CH3:23])[s:4][cH:5][c:6]([CH2:8][CH3:9])[cH:7]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 223290367-bromo-1-methyl-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzoazepine-4-carboxamideHCID 178437380HCID 178437380, compound

Product 1

HCID 69353790HCID 69353790, compound

Sources & evidence

ORD record
ord-5ae5edcce5224918a3a354bc89e18331
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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