Methanol → HCID 15225525, compound

HRID 2150119Notes

Reaction equation

HRID 2150119 reaction equation
[C:10](=[O:11])([O-:12])[O-:13].[CH3:16][OH:17].[CH3:1][c:2]1[n:3][o:4][c:5]([C:7](=[O:8])[OH:9])[cH:6]1.[Cl:18][CH2:19][N:20]1[S:21](=[O:22])(=[O:23])[c:24]2[cH:25][c:26]([O:35][CH3:36])[cH:27][c:28]([CH:32]([CH3:33])[CH3:34])[c:29]2[C:30]1=[O:31].[Cs+:14].[Cs+:15].[OH2:37]>>[CH3:1][c:2]1[n:3][o:4][c:5]([C:7](=[O:8])[O:9][CH2:19][N:20]2[S:21](=[O:22])(=[O:23])[c:24]3[cH:25][c:26]([O:35][CH3:36])[cH:27][c:28]([CH:32]([CH3:33])[CH3:34])[c:29]3[C:30]2=[O:31])[cH:6]1

Participants

7

Reactant 6

HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 8530853-Methylisoxazole-5-carboxylic acidHCID 99951732-(Chloromethyl)-4-isopropyl-6-methoxybenzo[D]isothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 15225525HCID 15225525, compound

Sources & evidence

ORD record
ord-b8649d4853764542926211cda7ffe101
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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