proline dl-form → HCID 59369326, compound

HRID 2127316Notes

Reaction equation

HRID 2127316 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH3:52][S:53](=[O:54])[CH3:55].[CH:1]1([c:4]2[c:5]([CH2:17][O:18][CH:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24][CH2:25]3)[c:6](-[c:9]3[c:10]([Cl:16])[cH:11][cH:12][cH:13][c:14]3[Cl:15])[n:7][o:8]2)[CH2:2][CH2:3]1.[Cu:56][I:57].[I:26][c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]1.[K+:50].[K+:51].[OH:38][C:39]([CH:40]1[NH:41][CH2:42][CH2:43][CH2:44]1)=[O:45]>>[CH:1]1([c:4]2[c:5]([CH2:17][O:18][CH:19]3[CH2:20][CH2:21][N:22]([c:27]4[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]4)[CH2:23][CH2:24][CH2:25]3)[c:6](-[c:9]3[c:10]([Cl:16])[cH:11][cH:12][cH:13][c:14]3[Cl:15])[n:7][o:8]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 614proline dl-formHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 142891Ethyl 4-iodobenzoateHCID 593693374-((Azepan-4-yloxy)methyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole

Product 1

HCID 59369326HCID 59369326, compound

Sources & evidence

ORD record
ord-0a0b6796e48642f6a1a3e2962219d4cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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