Acetic Acid → 4-(4-(4-(4-Chlorophenyl)phthalazin-1-ylamino)phenylthio)quinolin-6-ol

HRID 92459Notes

Reaction equation

HRID 92459 reaction equation
[BrH:42].[C:38]([OH:39])(=[O:40])[CH3:41].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][c:11]([NH:18][c:19]3[cH:20][cH:21][c:22]([S:25][c:26]4[cH:27][cH:28][n:29][c:30]5[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][c:35]45)[cH:23][cH:24]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][c:11]([NH:18][c:19]3[cH:20][cH:21][c:22]([S:25][c:26]4[cH:27][cH:28][n:29][c:30]5[cH:31][cH:32][c:33]([OH:36])[cH:34][c:35]45)[cH:23][cH:24]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 673169474-(4-chlorophenyl)-N-(4-(6-methoxyquinolin-4-ylthio)phenyl)phthalazin-1-amine

Product 1

HCID 594272854-(4-(4-(4-Chlorophenyl)phthalazin-1-ylamino)phenylthio)quinolin-6-ol

Sources & evidence

ORD record
ord-cc634c4dae8442899e8520caae10c471
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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