Dimethyl Sulfoxide → HCID 68777960, compound

HRID 202251Notes

Reaction equation

HRID 202251 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].[O:1]=[S:2]1(=[O:20])[CH:3]=[CH:4][c:5]2[c:6]1[cH:7][c:8]([NH:11][C:12]([O:13][CH2:14][C:15]([Cl:16])([Cl:17])[Cl:18])=[O:19])[cH:9][cH:10]2.[OH2:46].[s:21]1[c:22](-[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:23][cH:24][cH:25]1>>[O:1]=[S:2]1(=[O:20])[CH:3]=[CH:4][c:5]2[c:6]1[cH:7][c:8]([NH:11][C:12](=[O:19])[N:34]1[CH2:33][CH2:32][N:31]([c:29]3[s:28][n:27][c:26](-[c:22]4[s:21][cH:25][cH:24][cH:23]4)[n:30]3)[CH2:36][CH2:35]1)[cH:9][cH:10]2

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 81531DiisopropylethylamineHCID 68778015HCID 68778015, compoundHCID 866254872,2,2-Trichloroethyl (1,1-dioxido-1-benzothien-6-yl)carbamate

Product 1

HCID 68777960HCID 68777960, compound

Sources & evidence

ORD record
ord-e13efa1e651340b59eda1833c7421484
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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