Water → 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy(1-oxidopyridin-2-yl)methyl]-3-trifluoromethylphenyl]-1-(2,2,2-trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 164847Notes

Reaction equation

HRID 164847 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:52]2)[CH:20]=[C:21]([C:31](=[O:32])[NH:33][c:34]2[cH:35][c:36]([C:48]([F:49])([F:50])[F:51])[c:37]([CH:40]([c:41]4[n:42][cH:43][cH:44][cH:45][cH:46]4)[OH:47])[cH:38][cH:39]2)[CH2:22][CH2:23][N:24]3[C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[cH:13][cH:14]1.[Cl:65][CH2:66][Cl:67].[OH2:64].[OH:53][O:54][C:55]([c:56]1[cH:57][c:58]([Cl:59])[cH:60][cH:61][cH:62]1)=[O:63]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:52]2)[CH:20]=[C:21]([C:31](=[O:32])[NH:33][c:34]2[cH:35][c:36]([C:48]([F:49])([F:50])[F:51])[c:37]([CH:40]([c:41]4[n+:42]([O-:53])[cH:43][cH:44][cH:45][cH:46]4)[OH:47])[cH:38][cH:39]2)[CH2:22][CH2:23][N:24]3[C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[cH:13][cH:14]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 11331585HCID 11331585, compound

Product 1

HCID 111817687-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy(1-oxidopyridin-2-yl)methyl]-3-trifluoromethylphenyl]-1-(2,2,2-trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-61f1bc010a574a04970748969f7a2f6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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