Chloride → 5-chloro-N-(1-cyclopropylethyl)-2-nitrobenzamide

HRID 176103Notes

Reaction equation

HRID 176103 reaction equation
[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH:19]1([CH:22]([CH3:23])[NH2:24])[CH2:20][CH2:21]1.[Cl-:18].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:11](=[O:12])[O-:13])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH2:32].[S:14]([Cl:15])([Cl:16])=[O:17]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:11](=[O:12])[O-:13])[c:6]([C:7](=[O:9])[NH:24][CH:22]([CH:19]2[CH2:20][CH2:21]2)[CH3:23])[cH:10]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 172865-Chloro-2-nitrobenzoic acidHCID 24386Thionyl ChlorideHCID 5192391-Cyclopropylethanamine

Product 1

HCID 433994465-chloro-N-(1-cyclopropylethyl)-2-nitrobenzamide

Sources & evidence

ORD record
ord-02e0de0c24bb4a9cac45237226df9e10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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