Water → HCID 14152228, compound

HRID 695953Notes

Reaction equation

HRID 695953 reaction equation
[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[CH3:36][C:37]#[N:38].[Cl:1][c:2]1[c:3]([NH:9][S:10](=[O:11])(=[O:12])[c:13]2[n:14][n:15]3[c:16]([n:17][c:18]([CH3:22])[cH:19][c:20]3[OH:21])[n:23]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[OH2:35].[P:24]([Cl:25])([Cl:26])([Cl:27])=[O:28]>>[Cl:1][c:2]1[c:3]([NH:9][S:10](=[O:11])(=[O:12])[c:13]2[n:14][n:15]3[c:16]([n:17][c:18]([CH3:22])[cH:19][c:20]3[Cl:26])[n:23]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 6342AcetonitrileHCID 8058HexaneHCID 24813Phosphorus oxychlorideHCID 178429187HCID 178429187, compound

Product 1

HCID 14152228HCID 14152228, compound

Sources & evidence

ORD record
ord-619e4cfc146d4063a3b1f1405dd15ee7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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