Acetic Acid → HCID 136385253, compound

HRID 144593Notes

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 6344Dichloromethane

HCID 791961-Ethylpiperazine

HCID 1363447524-(3-Oxo-9-phenyl-3,7,8,9-tetrahydro-2H-pyrido[4,3,2-de]phthalazin-8-yl)benzaldehyde

Product 1

HCID 136385253HCID 136385253, compound

Sources & evidence

ORD record: ord-5117d4998df142b790e20db8cb01aca3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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