Water → methyl 2-(4-chloro-3-trifluoromethyl-benzyl)-4-oxo-4-[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl]-butanoate

HRID 200216Notes

Reaction equation

HRID 200216 reaction equation
[B-:22]([F:23])([F:24])([F:25])[F:26].[CH2:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH:49]([CH3:50])[CH3:51])[CH3:52].[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[Cl:1][c:2]1[c:3]([C:18]([F:19])([F:20])[F:21])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[O:10][CH3:11])[CH2:12][C:13](=[O:14])[O-:15])[cH:16][cH:17]1.[NH:53]1[CH2:54][CH2:55][CH:56]([N:59]2[C:60](=[O:69])[NH:61][c:62]3[cH:63][cH:64][cH:65][cH:66][c:67]3[CH2:68]2)[CH2:57][CH2:58]1.[OH2:75].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[Cl:1][c:2]1[c:3]([C:18]([F:19])([F:20])[F:21])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[O:10][CH3:11])[CH2:12][C:13](=[O:15])[N:53]2[CH2:54][CH2:55][CH:56]([N:59]3[C:60](=[O:69])[NH:61][c:62]4[cH:63][cH:64][cH:65][cH:66][c:67]4[CH2:68]3)[CH2:57][CH2:58]2)[cH:16][cH:17]1

Participants

8

Reactant 7

HCID 962WaterHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 110425973-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-oneHCID 178500558HCID 178500558, compound

Product 1

HCID 68589951methyl 2-(4-chloro-3-trifluoromethyl-benzyl)-4-oxo-4-[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl]-butanoate

Sources & evidence

ORD record
ord-3f9b092c50fe4195ac10e501eb164e67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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