Water → HCID 59321487, compound

HRID 297547Notes

Reaction equation

HRID 297547 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:30][CH2:31][c:32]1[c:33](-[c:40]2[c:41]([Cl:47])[cH:42][cH:43][cH:44][c:45]2[Cl:46])[n:34][o:35][c:36]1[CH:37]([CH3:38])[CH3:39].[Cs+:5].[Cs+:6].[F:7][c:8]1[c:9](-[c:23]2[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]2)[cH:10][c:11]2[cH:12][cH:13][c:14]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[n:15][c:16]2[cH:17]1.[OH2:48]>>[F:7][c:8]1[c:9](-[c:23]2[cH:24][cH:25][c:26]([O:29][CH2:31][c:32]3[c:33](-[c:40]4[c:41]([Cl:47])[cH:42][cH:43][cH:44][c:45]4[Cl:46])[n:34][o:35][c:36]3[CH:37]([CH3:38])[CH3:39])[cH:27][cH:28]2)[cH:10][c:11]2[cH:12][cH:13][c:14]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[n:15][c:16]2[cH:17]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 592648754-(Chloromethyl)-3-(2,6-dichlorophenyl)-5-isopropylisoxazoleHCID 59321502HCID 59321502, compound

Product 1

HCID 59321487HCID 59321487, compound

Sources & evidence

ORD record
ord-b6e4efc751454121808f1c390db683fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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