1,2-Dichloroethane → MK-3697

HRID 190116Notes

Reaction equation

HRID 190116 reaction equation
[CH2:35]([Cl:36])[CH2:37][Cl:38].[CH3:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11](-[c:17]3[s:18][cH:19][cH:20][n:21]3)[c:12]([C:14](=[O:15])[O-:16])[cH:13]2)[cH:5][n:6][cH:7]1.[CH3:23][O:24][c:25]1[n:26][c:27]([CH2:33][NH2:34])[cH:28][cH:29][c:30]1[O:31][CH3:32].[CH:49]([N:50]([CH:51]([CH3:52])[CH3:53])[CH2:54][CH3:55])([CH3:56])[CH3:57].[K+:22].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:39][n:40]1[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11](-[c:17]3[s:18][cH:19][cH:20][n:21]3)[c:12]([C:14](=[O:16])[NH:34][CH2:33][c:27]3[n:26][c:25]([O:24][CH3:23])[c:30]([O:31][CH3:32])[cH:29][cH:28]3)[cH:13]2)[cH:5][n:6][cH:7]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 813Potassium CationHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 574847121-(5,6-Dimethoxypyridin-2-yl)methanamineHCID 583942832-(5-Methyl-3-pyridinyl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxylate

Product 1

HCID 46190695MK-3697

Sources & evidence

ORD record
ord-011ee735a98a47989e61e7ad4f49ce0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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