Acetone → tert-Butyl {2-[3-(2,3-dihydro-1-ethyloxycarbonyl-3-oxo-indazol-2-yl)-propylsulfanyl]-benzoimidazol-1-yl}-acetate

HRID 1134780Notes

Reaction equation

HRID 1134780 reaction equation
[CH2:19]([CH3:20])[O:21][C:22](=[O:23])[n:24]1[n:25]([CH2:34][CH2:35][CH2:36][Cl:37])[c:26](=[O:33])[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12.[CH3:46][C:47](=[O:48])[CH3:49].[I-:39].[K+:38].[K+:40].[K+:41].[O-:42][C:43]([O-:44])=[O:45].[SH:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH2:7][C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[cH:15][cH:16][cH:17][cH:18]2>>[S:1]([c:2]1[n:3][c:4]2[c:5]([n:6]1[CH2:7][C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[CH2:36][CH2:35][CH2:34][n:25]1[n:24]([C:22]([O:21][CH2:19][CH3:20])=[O:23])[c:32]2[c:27]([c:26]1=[O:33])[cH:28][cH:29][cH:30][cH:31]2

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation3×HCID 19660Carbonate IonHCID 30165Iodide IonHCID 693147462-(3-Chloro-propyl)-3-oxo-2,3-dihydro-indazole-1-carboxylic acid ethyl esterHCID 178451223HCID 178451223, compound

Product 1

HCID 86620027tert-Butyl {2-[3-(2,3-dihydro-1-ethyloxycarbonyl-3-oxo-indazol-2-yl)-propylsulfanyl]-benzoimidazol-1-yl}-acetate

Sources & evidence

ORD record
ord-ac92b4a3fa56448db43f5c11fca74ab6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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