Triethylamine → Methyl 4-(3-(1-acetylpiperazin-4-yl)anilino)-3-nitrobenzoate

HRID 681616Notes

Reaction equation

HRID 681616 reaction equation
[C:15]([CH3:16])(=[O:17])[N:18]1[CH2:19][CH2:20][N:21]([c:24]2[cH:25][c:26]([NH2:27])[cH:28][cH:29][cH:30]2)[CH2:22][CH2:23]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[Cl:1][c:2]1[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1>>[c:2]1([NH:27][c:26]2[cH:25][c:24]([N:21]3[CH2:20][CH2:19][N:18]([C:15]([CH3:16])=[O:17])[CH2:23][CH2:22]3)[cH:30][cH:29][cH:28]2)[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1

Participants

5

Reactant 4

HCID 8471TriethylamineHCID 13387N-methyl-2-pyrrolidoneHCID 735797Methyl 4-chloro-3-nitrobenzoateHCID 111175391-[4-(3-Aminophenyl)piperazin-1-yl]ethan-1-one

Product 1

HCID 22741905Methyl 4-(3-(1-acetylpiperazin-4-yl)anilino)-3-nitrobenzoate

Sources & evidence

ORD record
ord-5e160da0f9ee4d419f4465029d64645b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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