Dichloromethane → 2-Hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one

HRID 2329871Notes

Reaction equation

HRID 2329871 reaction equation
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:31][CH:32]([CH3:33])[CH2:34][CH:35]([OH:36])[C:37]([OH:38])=[O:39].[Cl:64][CH2:65][Cl:66].[N:1]1([c:7]2[n:8][c:9](-[c:17]3[c:18]([OH:23])[cH:19][cH:20][cH:21][cH:22]3)[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[N:1]1([c:7]2[n:8][c:9](-[c:17]3[c:18]([OH:23])[cH:19][cH:20][cH:21][cH:22]3)[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[CH2:2][CH2:3][N:4]([C:37]([CH:35]([CH2:34][CH:32]([CH3:31])[CH3:33])[OH:36])=[O:38])[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 92779(+-)-2-Hydroxyisocaproic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 1361053622-(4-(Piperazin-1-yl)quinazolin-2-yl)phenol

Product 1

HCID 1363667612-Hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one

Sources & evidence

ORD record
ord-a2d75f4c079e4b8a9e2608bf6f9c432c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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