Acetic Acid → 9-(4-Fluorophenyl)-8-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one

HRID 2334069Notes

Reaction equation

HRID 2334069 reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH3:30][N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[CH3:37][C:38](=[O:39])[OH:40].[Cl:55][CH2:56][Cl:57].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([c:22]3[cH:23][cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29]3)[NH:10][c:11]3[c:12]4[c:13]2[n:14][nH:15][c:16](=[O:21])[c:17]4[cH:18][cH:19][cH:20]3)[cH:6][cH:7]1.[Na+:54]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([c:22]3[cH:23][cH:24][c:25]([CH2:26][N:34]4[CH2:33][CH2:32][N:31]([CH3:30])[CH2:36][CH2:35]4)[cH:28][cH:29]3)[NH:10][c:11]3[c:12]4[c:13]2[n:14][nH:15][c:16](=[O:21])[c:17]4[cH:18][cH:19][cH:20]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 136344749HCID 136344749, compound

Product 1

HCID 1361863199-(4-Fluorophenyl)-8-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one

Sources & evidence

ORD record
ord-18e7377365c244e2929c44467e0a3526
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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