Potassium Cation → 2-(1-Chloro-cyclopropyl)-1-(2-chlorophenyl)-3-[5-(4-chloro-benzoyl-mercapto)-1,2,4-triazol-1-yl]-propan-2-ol

HRID 179978Notes

Reaction equation

HRID 179978 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[Cl:11][C:12]1([C:15]([CH2:16][c:17]2[c:18]([Cl:23])[cH:19][cH:20][cH:21][cH:22]2)([CH2:24][n:25]2[n:26][cH:27][n:28][c:29]2[SH:30])[OH:31])[CH2:13][CH2:14]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[Cl:8])[cH:9][cH:10]1.[K+:36].[K+:37].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[S:30][c:29]2[n:25]([CH2:24][C:15]([C:12]3([Cl:11])[CH2:13][CH2:14]3)([CH2:16][c:17]3[c:18]([Cl:23])[cH:19][cH:20][cH:21][cH:22]3)[OH:31])[n:26][cH:27][n:28]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 8028TetrahydrofuranHCID 85014-Chlorobenzoyl chlorideHCID 19660Carbonate IonHCID 178520209HCID 178520209, compound

Product 1

HCID 179099552-(1-Chloro-cyclopropyl)-1-(2-chlorophenyl)-3-[5-(4-chloro-benzoyl-mercapto)-1,2,4-triazol-1-yl]-propan-2-ol

Sources & evidence

ORD record
ord-5aef93820a2b4ad5b4297f7723763563
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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