1,2-Dichloroethane → 5-(5-(1-(4,6-Dimethylpyrimidin-2-yl)cyclopropylcarbamoyl)-2-methylphenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

HRID 683064Notes

Reaction equation

HRID 683064 reaction equation
[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH3:31][c:32]1[n:33][c:34]([C:39]2([NH2:42])[CH2:40][CH2:41]2)[n:35][c:36]([CH3:38])[cH:37]1.[Cl:58][CH2:59][Cl:60].[ClH:57].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][c:29]2[CH3:30])[cH:19][cH:20]3)[cH:6][cH:7]1.[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[NH:42][C:39]4([c:34]5[n:33][c:32]([CH3:31])[cH:37][c:36]([CH3:38])[n:35]5)[CH2:40][CH2:41]4)[cH:27][cH:28][c:29]2[CH3:30])[cH:19][cH:20]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 552956881-(4,6-Dimethyl-2-pyrimidinyl)cyclopropanamineHCID 592756533-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)-4-methylbenzoic acid

Product 1

HCID 595051245-(5-(1-(4,6-Dimethylpyrimidin-2-yl)cyclopropylcarbamoyl)-2-methylphenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

Sources & evidence

ORD record
ord-1dc72f1151d94b0e947a92e0c4f10edf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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