1,2-Dichloroethane → 2-(4-Fluorophenyl)-5-(4-methoxy-2-methyl-5-(1-(5-methyloxazol-4-yl)cyclopropylcarbamoyl)phenyl)-N-methylbenzofuran-3-carboxamide

HRID 291998Notes

Reaction equation

HRID 291998 reaction equation
[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH3:33][c:34]1[c:35]([C:39]2([NH2:42])[CH2:40][CH2:41]2)[n:36][cH:37][o:38]1.[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[Cl:67][CH2:68][Cl:69].[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[c:22]([CH3:32])[cH:23][c:24]([O:30][CH3:31])[c:25]([C:26](=[O:27])[OH:28])[cH:29]2)[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[c:22]([CH3:32])[cH:23][c:24]([O:30][CH3:31])[c:25]([C:26](=[O:27])[NH:42][C:39]4([c:35]5[c:34]([CH3:33])[o:38][cH:37][n:36]5)[CH2:40][CH2:41]4)[cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 592756045-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)-2-methoxy-4-methylbenzoic acidHCID 672916761-(5-Methyloxazol-4-yl)cyclopropanamine

Product 1

HCID 534684562-(4-Fluorophenyl)-5-(4-methoxy-2-methyl-5-(1-(5-methyloxazol-4-yl)cyclopropylcarbamoyl)phenyl)-N-methylbenzofuran-3-carboxamide

Sources & evidence

ORD record
ord-30a7f786363b40a19b414dc29fece18c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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