Chlorobenzene → 5-(2,4-Bis-benzyloxy-5-chloro-phenyl)-4-(3-chloro-phenyl)-isoxazole-3-carboxylic acid ethylamide

HRID 1141033Notes

Reaction equation

HRID 1141033 reaction equation
[BH:35]([OH:36])[OH:37].[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[n:7][o:8][c:9](-[c:12]2[c:13]([O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:14][c:15]([O:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:16]([Cl:18])[cH:17]2)[c:10]1[Br:11].[Cl:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[n:7][o:8][c:9](-[c:12]2[c:13]([O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:14][c:15]([O:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:16]([Cl:18])[cH:17]2)[c:10]1-[c:43]1[cH:42][cH:41][cH:40][c:39]([Cl:38])[cH:44]1

Participants

4

Reactant 3

HCID 7964ChlorobenzeneHCID 61668Boronic AcidHCID 247740425-(2,4-Bis(benzyloxy)-5-chlorophenyl)-4-bromo-N-ethylisoxazole-3-carboxamide

Product 1

HCID 592647605-(2,4-Bis-benzyloxy-5-chloro-phenyl)-4-(3-chloro-phenyl)-isoxazole-3-carboxylic acid ethylamide

Sources & evidence

ORD record
ord-53c862c758724959ab4400eae7cdbad6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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