Water → HCID 11574593, compound

HRID 2149857Notes

Reaction equation

HRID 2149857 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([Cl:11])[C:9]1=[O:10].[CH3:20][O:21][c:22]1[cH:23][cH:24][c:25]([NH2:28])[cH:26][n:27]1.[CH3:29][C:30]#[N:31].[OH2:32]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([NH:28][c:25]2[cH:24][cH:23][c:22]([O:21][CH3:20])[n:27][cH:26]2)[C:9]1=[O:10]

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 811216-Methoxy-3-pyridinylamineHCID 672426232-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 11574593HCID 11574593, compound

Sources & evidence

ORD record
ord-85a9ebbcc3c04ba7adc5c857cfe96936
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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