Dimethyl Sulfoxide → HCID 68540874, compound

HRID 2350113Notes

Reaction equation

HRID 2350113 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[n:16][cH:17][cH:18][c:19]([NH2:21])[cH:20]2)[CH2:12][CH2:13]1.[CH3:56][S:57]([CH3:58])=[O:59].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[Cl:22][C:23]([Cl:24])([Cl:44])[CH2:45][O:25][C:26]([NH:27][c:28]1[n:29](-[c:37]2[cH:38][cH:39][c:40]([CH3:43])[cH:41][cH:42]2)[n:30][c:31]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:32]1)=[O:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[n:16][cH:17][cH:18][c:19]([NH:21][C:26](=[O:25])[NH:27][c:28]3[n:29](-[c:37]4[cH:38][cH:39][c:40]([CH3:43])[cH:41][cH:42]4)[n:30][c:31]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:32]3)[cH:20]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 81531DiisopropylethylamineHCID 99310942,2,2-Trichloroethyl 3-tert-butyl-1-P-tolyl-1H-pyrazol-5-ylcarbamateHCID 68538138HCID 68538138, compound

Product 1

HCID 68540874HCID 68540874, compound

Sources & evidence

ORD record
ord-6bac06feb631427b8b2171ee7e6cda0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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