Acetic Acid → 2-(1-Chloro-cyclopropyl)-1-(2-chloro-phenyl)-3-(5-thiocyanato-1,2,4-triazol-1-yl)-propan-2-ol

HRID 144408Notes

Reaction equation

HRID 144408 reaction equation
[CH3:26][C:27](=[O:28])[OH:29].[Cl:1].[Cl:2][C:3]1([C:6]([CH2:7][c:8]2[c:9]([Cl:14])[cH:10][cH:11][cH:12][cH:13]2)([CH2:15][n:16]2[n:17][cH:18][n:19][c:20]2[SH:21])[OH:22])[CH2:4][CH2:5]1.[Cl:30][CH2:31][Cl:32].[K:23][C:24]#[N:25]>>[Cl:2][C:3]1([C:6]([CH2:7][c:8]2[c:9]([Cl:14])[cH:10][cH:11][cH:12][cH:13]2)([CH2:15][n:16]2[n:17][cH:18][n:19][c:20]2[S:21][C:24]#[N:25])[OH:22])[CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 178511842HCID 178511842, compoundHCID 178520209HCID 178520209, compound

Product 1

HCID 108723112-(1-Chloro-cyclopropyl)-1-(2-chloro-phenyl)-3-(5-thiocyanato-1,2,4-triazol-1-yl)-propan-2-ol

Sources & evidence

ORD record
ord-5f235746cb434360be58a93231995cc2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…