proline dl-form → HCID 68294895, compound

HRID 1127110Notes

Reaction equation

HRID 1127110 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:16](=[O:17])[O:18][CH3:19])[c:5]2[cH:6][n:7][n:8]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)[c:9]2[cH:10]1.[C:20](=[O:21])([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:47][S:48]([CH3:49])=[O:50].[Cu:51][I:52].[K+:33].[K+:34].[O-:35][C:36]([O-:37])=[O:38].[OH2:53].[OH:39][C:40]([CH:41]1[NH:42][CH2:43][CH2:44][CH2:45]1)=[O:46]>>[c:2]1([N:30]2[CH2:29][CH2:28][N:27]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:32][CH2:31]2)[cH:3][c:4]([C:16](=[O:17])[O:18][CH3:19])[c:5]2[cH:6][n:7][n:8]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)[c:9]2[cH:10]1

Participants

9

Reactant 8

HCID 614proline dl-formHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 143452tert-Butyl piperazine-1-carboxylateHCID 67468180Methyl 6-bromo-1-cyclopentyl-1H-indazole-4-carboxylate

Product 1

HCID 68294895HCID 68294895, compound

Sources & evidence

ORD record
ord-0833fc3fcbe64bbdaf611c3c1142d641
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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