Methanol → HCID 86752549, compound

HRID 2139757Notes

Reaction equation

HRID 2139757 reaction equation
[Br:31][CH2:32][N:33]1[S:34](=[O:48])(=[O:49])[c:35]2[c:36]([c:39]([CH:45]([CH3:46])[CH3:47])[cH:40][c:41]([O:43][CH3:44])[cH:42]2)[C:37]1=[O:38].[C:20](=[O:21])([O-:22])[O-:23].[CH3:50][OH:51].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10](-[c:14]3[cH:15][cH:16][n:17][cH:18][cH:19]3)[cH:11][c:12]2[OH:13])[cH:6][cH:7]1.[Cs+:24].[Cs+:25].[O:26]=[CH:27][N:28]([CH3:29])[CH3:30].[OH2:52]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10](-[c:14]3[cH:15][cH:16][n:17][cH:18][cH:19]3)[cH:11][c:12]2[O:13][CH2:32][N:33]2[S:34](=[O:48])(=[O:49])[c:35]3[c:36]([c:39]([CH:45]([CH3:46])[CH3:47])[cH:40][c:41]([O:43][CH3:44])[cH:42]3)[C:37]2=[O:38])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 108825772-bromomethyl-4-isopropyl-6-methoxy-1,2-benzisothiazol-3(2H)-one 1,1-dioxideHCID 178515684HCID 178515684, compound

Product 1

HCID 86752549HCID 86752549, compound

Sources & evidence

ORD record
ord-43e85fb8f0324b9395a705449052f97e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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