Water → HCID 66698950, compound

HRID 2151661Notes

Reaction equation

HRID 2151661 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH2:27]([CH3:28])[O:29][C:30]([c:31]1[cH:32][cH:33][c:34]([CH2:37][Br:38])[cH:35][cH:36]1)=[O:39].[CH3:47][N:48]([CH3:49])[C:50](=[O:51])[CH3:52].[Cl:1][c:2]1[cH:3][c:4]([OH:26])[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([c:14]1[c:15]2[cH:16][cH:17][n:18][cH:19][c:20]2[cH:21][cH:22][cH:23]1)[OH:24])[CH3:25].[Cs+:44].[Cs+:45].[OH2:46]>>[Cl:1][c:2]1[cH:3][c:4]([O:26][CH2:37][c:34]2[cH:33][cH:32][c:31]([C:30]([O:29][CH2:27][CH3:28])=[O:39])[cH:36][cH:35]2)[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([c:14]1[c:15]2[cH:16][cH:17][n:18][cH:19][c:20]2[cH:21][cH:22][cH:23]1)[OH:24])[CH3:25]

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 104967Cesium cation2×HCID 954261Ethyl 4-(bromomethyl)benzoateHCID 574213013-Chloro-4-(3,3,3-trifluoro-2-hydroxy-2-isoquinolin-5-yl-1-methyl-propyl)-phenol

Product 1

HCID 66698950HCID 66698950, compound

Sources & evidence

ORD record
ord-7e67e880488e4696b6da643e024907d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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