Ethanol → HCID 22329078, compound

HRID 2132933Notes

Reaction equation

HRID 2132933 reaction equation
[Br:15][c:16]1[cH:17][cH:18][c:19]2[c:20]([cH:45]1)[CH:21]=[C:22]([C:27](=[O:28])[NH:29][c:30]1[cH:31][cH:32][c:33]([CH2:36][N:37]([CH:38]3[CH2:39][CH2:40][O:41][CH2:42][CH2:43]3)[CH3:44])[cH:34][cH:35]1)[CH2:23][CH2:24][N:25]2[CH3:26].[C:46](=[O:47])([O-:48])[O-:49].[CH2:59]([OH:60])[CH3:61].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[K+:50].[K+:51].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([O:11][B:12]([O-:13])[O-:14])[cH:10]2.[OH2:62].[c:52]1([CH3:53])[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9](-[c:16]1[cH:17][cH:18][c:19]3[c:20]([cH:45]1)[CH:21]=[C:22]([C:27](=[O:28])[NH:29][c:30]1[cH:31][cH:32][c:33]([CH2:36][N:37]([CH:38]4[CH2:39][CH2:40][O:41][CH2:42][CH2:43]4)[CH3:44])[cH:34][cH:35]1)[CH2:23][CH2:24][N:25]3[CH3:26])[cH:10]2

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 86756787HCID 86756787, compound

Product 1

HCID 22329078HCID 22329078, compound

Sources & evidence

ORD record
ord-6b524b0597a545d58c357277c885c4b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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