Dimethyl Sulfoxide → N-(Isoquinolin-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

HRID 113495Notes

Reaction equation

HRID 113495 reaction equation
[CH3:47][S:48](=[O:49])[CH3:50].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[OH2:46].[c:20]1(-[c:26]2[n:27][s:28][c:29]([N:31]3[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]3)[n:30]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1.[cH:1]1[n:2][cH:3][c:4]([NH:11][C:12]([O:13][CH2:14][C:15]([Cl:16])([Cl:17])[Cl:18])=[O:19])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[n:2][cH:3][c:4]([NH:11][C:12](=[O:19])[N:34]2[CH2:33][CH2:32][N:31]([c:29]3[s:28][n:27][c:26](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:30]3)[CH2:36][CH2:35]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 81531DiisopropylethylamineHCID 27777601-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-piperazineHCID 687756952,2,2-Trichloroethyl isoquinolin-4-ylcarbamate

Product 1

HCID 68779926N-(Isoquinolin-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

Sources & evidence

ORD record
ord-37534abe078b4dedbbe1cb16c880eeeb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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