Hydrochloric Acid → 4-(4-fluoro-3-(4-(2-methoxyethoxy)piperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one

HRID 281082Notes

Reaction equation

HRID 281082 reaction equation
[CH3:24][O:25][CH2:26][CH2:27][O:28][CH:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:66][N:67]([CH3:68])[C:69](=[O:70])[CH3:71].[CH3:75][CH2:76][O:77][CH2:78][CH3:79].[Cl:72][CH2:73][Cl:74].[ClH:23].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([CH2:11][c:12]2[n:13][nH:14][c:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[cH:9][cH:10]1.[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[F:1][c:2]1[c:3]([C:4](=[O:6])[N:32]2[CH2:31][CH2:30][CH:29]([O:28][CH2:27][CH2:26][O:25][CH3:24])[CH2:34][CH2:33]2)[cH:7][c:8]([CH2:11][c:12]2[n:13][nH:14][c:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[cH:9][cH:10]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 31374DimethylacetamideHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 140223844-(2-Methoxyethoxy)piperidineHCID 248117402-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid

Product 1

HCID 577918204-(4-fluoro-3-(4-(2-methoxyethoxy)piperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one

Sources & evidence

ORD record
ord-03028e0b12454424b3334fd929095f51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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