1,2-Dichloroethane → Mk-1064

HRID 1238133Notes

Reaction equation

HRID 1238133 reaction equation
[CH2:36]([Cl:37])[CH2:38][Cl:39].[CH3:24][O:25][c:26]1[n:27][c:28]([CH2:34][NH2:35])[cH:29][cH:30][c:31]1[O:32][CH3:33].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH2:55][CH3:56])([CH3:57])[CH3:58].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]([C:20](=[O:21])[O-:22])[c:11](-[c:14]3[n:15][cH:16][cH:17][cH:18][cH:19]3)[n:12][cH:13]2)[cH:5][n:6][cH:7]1.[Na+:23].[OH:40][n:41]1[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]([C:20](=[O:22])[NH:35][CH2:34][c:28]3[n:27][c:26]([O:25][CH3:24])[c:31]([O:32][CH3:33])[cH:30][cH:29]3)[c:11](-[c:14]3[n:15][cH:16][cH:17][cH:18][cH:19]3)[n:12][cH:13]2)[cH:5][n:6][cH:7]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 574847121-(5,6-Dimethoxypyridin-2-yl)methanamineHCID 591873875-(5-Chloro-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate

Product 1

HCID 44633765Mk-1064

Sources & evidence

ORD record
ord-ae6b946e392e4d4088d800868da9bf99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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