1,2-Dichloroethane → N-(4-{6-[2-(Cyclohexylmethyl-amino)-4-trifluoromethyl-phenyl]-pyrimidin-4-yloxy}-benzothiazol-2-yl)-acetamide

HRID 1150168Notes

Reaction equation

HRID 1150168 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH:32]1([CH:38]=[O:39])[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[Cl:55][CH2:56][CH2:57][Cl:58].[NH2:1][c:2]1[c:3](-[c:12]2[cH:13][c:14]([O:18][c:19]3[cH:20][cH:21][cH:22][c:23]4[c:24]3[n:25][c:26]([NH:28][C:29]([CH3:30])=[O:31])[s:27]4)[n:15][cH:16][n:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Na+:53].[OH2:54]>>[NH:1]([c:2]1[c:3](-[c:12]2[cH:13][c:14]([O:18][c:19]3[cH:20][cH:21][cH:22][c:23]4[c:24]3[n:25][c:26]([NH:28][C:29]([CH3:30])=[O:31])[s:27]4)[n:15][cH:16][n:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1)[CH2:38][CH:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 923Sodium ionHCID 962WaterHCID 16275CyclohexanecarboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 21865046N-(4-(6-(2-Amino-4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide

Product 1

HCID 21865078N-(4-{6-[2-(Cyclohexylmethyl-amino)-4-trifluoromethyl-phenyl]-pyrimidin-4-yloxy}-benzothiazol-2-yl)-acetamide

Sources & evidence

ORD record
ord-99199eceee67450b84b37aee0eb0f09a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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