Acetonitrile → HCID 57917645, compound

HRID 2338856Notes

Reaction equation

HRID 2338856 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[NH:16][C:17]([c:18]1[cH:19][c:20]([CH2:24][N:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[cH:21][cH:22][cH:23]1)=[O:31].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][C:40]#[N:41].[NH2:1][c:2]1[c:3]([Cl:11])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1>>[NH2:1][c:2]1[c:3]([Cl:11])[cH:4][c:5]([C:6](=[O:8])[N:28]2[CH2:27][CH2:26][N:25]([CH2:24][c:20]3[cH:19][c:18]([C:17]([NH:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:31])[cH:23][cH:22][cH:21]3)[CH2:30][CH2:29]2)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 172114-Amino-3-chlorobenzoic acidHCID 66877987N-tert-butyl-3-(piperazin-1-ylmethyl)benzamide

Product 1

HCID 57917645HCID 57917645, compound

Sources & evidence

ORD record
ord-442a094bfb604c2c87c4b66bf7e974d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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