Ethanol → HCID 21995865, compound

HRID 938048Notes

Reaction equation

HRID 938048 reaction equation
[B:44]([O-:45])([O-:56])[O:57][c:46]1[cH:47][cH:48][c:49]([CH2:52][CH2:53][O:54][CH3:55])[cH:50][cH:51]1.[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:32]1)[CH:7]=[C:8]([C:14](=[O:15])[NH:16][c:17]1[cH:18][cH:19][c:20]([CH2:23][N:24]([CH:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[CH3:31])[cH:21][cH:22]1)[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13].[C:58](=[O:59])([O-:60])[O-:61].[CH2:34]([OH:35])[CH3:36].[K+:62].[K+:63].[OH2:33].[OH2:64].[c:37]1([CH3:38])[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[c:2]1(-[c:46]2[cH:47][cH:48][c:49]([CH2:52][CH2:53][O:54][CH3:55])[cH:50][cH:51]2)[cH:3][cH:4][c:5]2[c:6]([cH:32]1)[CH:7]=[C:8]([C:14](=[O:15])[NH:16][c:17]1[cH:18][cH:19][c:20]([CH2:23][N:24]([CH:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[CH3:31])[cH:21][cH:22]1)[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13]

Participants

8

Reactant 7

HCID 702EthanolHCID 813Potassium Cation2×HCID 962Water2×HCID 1140TolueneHCID 19660Carbonate IonHCID 219957067-bromo-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamideHCID 86756807HCID 86756807, compound

Product 1

HCID 21995865HCID 21995865, compound

Sources & evidence

ORD record
ord-736f62898ab54e4f9b84059f7f7df683
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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