Bicarbonate Ion → 4-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-

HRID 86790Notes

Reaction equation

HRID 86790 reaction equation
[C:71](=[O:72])([OH:73])[O-:74].[CH2:85]1[O:86][CH2:87][CH2:88][O:89][CH2:90]1.[CH3:43][c:44]1[cH:45][cH:46][c:47]([C:48]([O:49][CH:50]([CH:51]([O:52][C:53](=[O:54])[c:55]2[cH:56][cH:57][c:58]([CH3:59])[cH:60][cH:61]2)[C:62]([OH:63])=[O:64])[C:65]([OH:66])=[O:67])=[O:68])[cH:69][cH:70]1.[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]=[C:9]([N:12]1[CH2:13][CH2:14][N:15]([c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][cH:23]3)[CH2:16][CH2:17]1)[N:8]([c:26]1[c:27]([O:36][CH3:37])[cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)[CH:7]2[CH2:38][C:39](=[O:40])[O:41][CH3:42].[Na+:75].[Na+:77].[OH-:76]>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]=[C:9]([N:12]1[CH2:13][CH2:14][N:15]([c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][cH:23]3)[CH2:16][CH2:17]1)[N:8]([c:26]1[c:27]([O:36][CH3:37])[cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)[CH:7]2[CH2:38][C:39](=[O:40])[OH:41]

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 1140TolueneHCID 312751,4-DioxaneHCID 97036[R(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]succinic acidHCID 119836914-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-, methyl ester

Product 1

HCID 99160994-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-

Sources & evidence

ORD record
ord-fcf849402db14b4ebea68c632c818759
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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