Dimethylformamide → Chloride

HRID 121552Notes

Reaction equation

HRID 121552 reaction equation
[CH3:32][N:33]([CH:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1)[CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[C:12]2=[CH:18][c:17]3[c:16]([cH:22][cH:21][c:20](-[c:23]4[cH:24][cH:25][c:26]([O:29][CH2:30][CH3:31])[cH:27][cH:28]4)[cH:19]3)[O:15][CH2:14][CH2:13]2)[cH:7][cH:8]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[C:12]2=[CH:18][c:17]3[c:16]([cH:22][cH:21][c:20](-[c:23]4[cH:24][cH:25][c:26]([O:29][CH2:30][CH3:31])[cH:27][cH:28]4)[cH:19]3)[O:15][CH2:14][CH2:13]2)[cH:7][cH:8]1)[N+:33]([CH3:32])([CH:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1)[CH3:40].[Cl-:1]

Participants

6

Reactant 4

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 10176150N,N-Dimethyltetrahydro-2H-pyran-4-amineHCID 18472558N-(4-chloromethylphenyl)-7-(4-ethoxyphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Product 2

HCID 312ChlorideHCID 474167[4-[[7-(4-Ethoxyphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]phenyl]methyl-dimethyl-tetrahydropyran-4-yl-ammonium

Sources & evidence

ORD record
ord-409737cc3a594f23b1128056b71aaa78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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