Dimethyl Sulfoxide → HCID 68782023, compound

HRID 1559338Notes

Reaction equation

HRID 1559338 reaction equation
[CH3:47][S:48]([CH3:49])=[O:50].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[OH2:51].[c:21]1(-[c:27]2[n:28][c:29]([N:32]3[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]3)[s:30][cH:31]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1.[n:1]1(-[c:6]2[cH:7][cH:8][c:9]([NH:12][C:13]([O:14][CH2:15][C:16]([Cl:17])([Cl:18])[Cl:19])=[O:20])[cH:10][cH:11]2)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][cH:8][c:9]([NH:12][C:13](=[O:20])[N:35]3[CH2:34][CH2:33][N:32]([c:29]4[n:28][c:27](-[c:21]5[cH:22][cH:23][cH:24][cH:25][cH:26]5)[cH:31][s:30]4)[CH2:37][CH2:36]3)[cH:10][cH:11]2)[cH:2][n:3][cH:4][cH:5]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 81531DiisopropylethylamineHCID 7124681-(4-Phenyl-1,3-thiazol-2-yl)piperazineHCID 86245060HCID 86245060, compound

Product 1

HCID 68782023HCID 68782023, compound

Sources & evidence

ORD record
ord-e25c7eeab89a47358bc154e687513c6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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