Tetrahydrofuran → diethyl 2-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-2-{2-oxo-2-[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl]-ethyl}-malonate

HRID 1234106Notes

Reaction equation

HRID 1234106 reaction equation
[B-:53]([F:54])([F:55])([F:56])[F:57].[CH2:85]1[O:86][CH2:87][CH2:88][CH2:89]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[NH2:8][c:9]1[c:10]([Cl:35])[cH:11][c:12]([CH2:19][C:20]([CH2:21][C:22](=[O:23])[OH:24])([C:25](=[O:26])[O:27][CH2:28][CH3:29])[C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:13][c:14]1[C:15]([F:16])([F:17])[F:18].[NH:36]1[CH2:37][CH2:38][CH:39]([N:42]2[C:43](=[O:52])[NH:44][c:45]3[cH:46][cH:47][cH:48][cH:49][c:50]3[CH2:51]2)[CH2:40][CH2:41]1.[OH:75][n:76]1[c:77]2[c:78]([cH:79][cH:80][cH:81][cH:82]2)[n:83][n:84]1.[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[cH:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[NH2:8][c:9]1[c:10]([Cl:35])[cH:11][c:12]([CH2:19][C:20]([CH2:21][C:22](=[O:24])[N:36]2[CH2:37][CH2:38][CH:39]([N:42]3[C:43](=[O:52])[NH:44][c:45]4[cH:46][cH:47][cH:48][cH:49][c:50]4[CH2:51]3)[CH2:40][CH2:41]2)([C:25](=[O:26])[O:27][CH2:28][CH3:29])[C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:13][c:14]1[C:15]([F:16])([F:17])[F:18]

Participants

8

Reactant 7

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 26255TetrafluoroborateHCID 757711-HydroxybenzotriazoleHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 110425973-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-oneHCID 221846134-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-3,3-bis-ethoxycarbonyl-butanoic acid

Product 1

HCID 68592549diethyl 2-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-2-{2-oxo-2-[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl]-ethyl}-malonate

Sources & evidence

ORD record
ord-9f091cf9bd2548bba274ffea955f2a70
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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