proline dl-form → Ethyl 2-[5-[[(1,1-dimethylethoxy)carbonyl]amino]-4,5,6,7-tetrahydro-1H-indazol-1-yl]-4-methyl-5-thiazolecarboxylate

HRID 135636Notes

Reaction equation

HRID 135636 reaction equation
[Br:18][c:19]1[s:20][c:21]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[c:22]([CH3:24])[n:23]1.[C:38](=[O:39])([O-:40])[O-:41].[Cu:44][I:45].[K+:42].[K+:43].[OH:30][C:31]([CH:32]1[NH:33][CH2:34][CH2:35][CH2:36]1)=[O:37].[nH:1]1[n:2][cH:3][c:4]2[c:9]1[CH2:8][CH2:7][CH:6]([NH:10][C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:5]2>>[n:1]1(-[c:19]2[s:20][c:21]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[c:22]([CH3:24])[n:23]2)[n:2][cH:3][c:4]2[c:9]1[CH2:8][CH2:7][CH:6]([NH:10][C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:5]2

Participants

7

Reactant 6

HCID 614proline dl-formHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 2824057Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylateHCID 67316380(4,5,6,7-Tetrahydro-1H-indazol-5-yl)-carbamic acid tert-butyl ester

Product 1

HCID 67548772Ethyl 2-[5-[[(1,1-dimethylethoxy)carbonyl]amino]-4,5,6,7-tetrahydro-1H-indazol-1-yl]-4-methyl-5-thiazolecarboxylate

Sources & evidence

ORD record
ord-136694073e364195a8c196df26252d66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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