Dimethyl Sulfoxide → HCID 23114284, compound

HRID 137358Notes

Reaction equation

HRID 137358 reaction equation
[CH2:31]1[CH2:32][CH2:33][NH:34][CH2:35]1.[CH3:46][S:47]([CH3:48])=[O:49].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][O:12][c:13]3[c:14]2[c:15]([CH3:30])[c:16]([NH:21][C:22]([O:23][CH2:25][C:26]([Cl:27])([Cl:28])[Cl:29])=[O:24])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1.[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[OH2:45]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][O:12][c:13]3[c:14]2[c:15]([CH3:30])[c:16]([NH:21][C:22](=[O:23])[N:34]2[CH2:33][CH2:32][CH2:31][CH2:35]2)[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 31268PyrrolidineHCID 81531DiisopropylethylamineHCID 86618058HCID 86618058, compound

Product 1

HCID 23114284HCID 23114284, compound

Sources & evidence

ORD record
ord-7f1dbe8c6c144c1ba319804bc4fe20cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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