Dichloromethane → N-cyclopropyl-N-(3-(3-(neopentylamino)benzo[d]isoxazol-5-yl)benzyl)benzamide

HRID 2142997Notes

Reaction equation

HRID 2142997 reaction equation
[C:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)(=[O:41])[Cl:42].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH:8]1([NH:11][CH2:12][c:13]2[cH:14][c:15](-[c:19]3[cH:20][cH:21][c:22]4[c:23]([c:24]([NH:27][CH2:28][C:29]([CH3:30])([CH3:31])[CH3:32])[n:25][o:26]4)[cH:33]3)[cH:16][cH:17][cH:18]2)[CH2:9][CH2:10]1.[Cl:43][CH2:44][Cl:45]>>[CH:8]1([N:11]([CH2:12][c:13]2[cH:14][c:15](-[c:19]3[cH:20][cH:21][c:22]4[c:23]([c:24]([NH:27][CH2:28][C:29]([CH3:30])([CH3:31])[CH3:32])[n:25][o:26]4)[cH:33]3)[cH:16][cH:17][cH:18]2)[C:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:41])[CH2:9][CH2:10]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 7412Benzoyl chlorideHCID 8471TriethylamineHCID 119657955-(3-((cyclopropylamino)methyl)phenyl)-N-neopentylbenzo[d]isoxazol-3-amine

Product 1

HCID 11965793N-cyclopropyl-N-(3-(3-(neopentylamino)benzo[d]isoxazol-5-yl)benzyl)benzamide

Sources & evidence

ORD record
ord-87845b3e711c443d8a7dbfea1d703853
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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