Acetic Acid → HCID 178482112, compound

HRID 2140431Notes

Reaction equation

HRID 2140431 reaction equation
[CH2:25]([Cl:26])[Cl:27].[CH3:41][C:42](=[O:43])[OH:44].[Cl:1][c:2]1[cH:3][c:4](-[c:13]2[c:14]([N:19]([S:20](=[O:21])(=[O:22])[CH3:23])[CH3:24])[cH:15][cH:16][cH:17][cH:18]2)[n:5]2[n:6][c:7]([S:11][CH3:12])[n:8][cH:9][c:10]12.[Cl:28][c:29]1[cH:30][cH:31][cH:32][c:33]([C:34]([O:35][OH:37])=[O:36])[cH:38]1.[Na+:40].[OH-:39].[OH2:45]>>[Cl:1][c:2]1[cH:3][c:4](-[c:13]2[c:14]([N:19]([S:20](=[O:21])(=[O:22])[CH3:23])[CH3:24])[cH:15][cH:16][cH:17][cH:18]2)[n:5]2[n:6][c:7]([OH:36])[n:8][cH:9][c:10]12

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 66711999N-[2-(5-Chloro-2-methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenyl]-N-methyl-methanesulfonamide

Product 1

HCID 178482112HCID 178482112, compound

Sources & evidence

ORD record
ord-29af1158bc0245beb4102d137dd2438d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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