Dimethyl Sulfoxide → HCID 57863462, compound

HRID 1567273Notes

Reaction equation

HRID 1567273 reaction equation
[CH3:57][S:58]([CH3:59])=[O:60].[CH:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH2:53][CH3:54])([CH3:55])[CH3:56].[Cl:23][C:24]([Cl:25])([Cl:45])[CH2:46][O:26][C:27]([NH:28][c:29]1[n:30](-[c:38]2[cH:39][cH:40][c:41]([CH3:44])[cH:42][cH:43]2)[n:31][c:32]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:33]1)=[O:47].[s:1]1[cH:2][c:3](-[c:6]2[cH:7][c:8]3[n:9]([cH:10][cH:11]2)[c:12](-[c:15]2[cH:16][cH:17][c:18]([CH2:19][NH2:20])[cH:21][cH:22]2)[cH:13][n:14]3)[cH:4][cH:5]1>>[s:1]1[cH:2][c:3](-[c:6]2[cH:7][c:8]3[n:9]([cH:10][cH:11]2)[c:12](-[c:15]2[cH:16][cH:17][c:18]([CH2:19][NH:20][C:27](=[O:26])[NH:28][c:29]4[n:30](-[c:38]5[cH:39][cH:40][c:41]([CH3:44])[cH:42][cH:43]5)[n:31][c:32]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:33]4)[cH:21][cH:22]2)[cH:13][n:14]3)[cH:4][cH:5]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 81531DiisopropylethylamineHCID 99310942,2,2-Trichloroethyl 3-tert-butyl-1-P-tolyl-1H-pyrazol-5-ylcarbamateHCID 68546834HCID 68546834, compound

Product 1

HCID 57863462HCID 57863462, compound

Sources & evidence

ORD record
ord-e859772c51584121bcf174a24f70a201
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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