Methanol → (+/-)-2-(4-(8-Fluoro-2-oxo-1,2-dihydroquinazolin-3 (4H)-yl)piperidine-1-carboxamido)-3-(7-methyl-1H-indazol-5-yl)propanoic Acid

HRID 1153532Notes

Reaction equation

HRID 1153532 reaction equation
[CH3:38][OH:39].[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[NH:10][C:9](=[O:12])[N:8]([CH:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[NH:21][CH:22]([C:23](=[O:24])[O:25][CH3:26])[CH2:27][c:28]3[cH:29][c:30]4[cH:31][n:32][nH:33][c:34]4[c:35]([CH3:37])[cH:36]3)[CH2:17][CH2:18]1)[CH2:7]2.[Li+:45].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:46].[OH2:47]>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[NH:10][C:9](=[O:12])[N:8]([CH:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[NH:21][CH:22]([C:23](=[O:24])[OH:25])[CH2:27][c:28]3[cH:29][c:30]4[cH:31][n:32][nH:33][c:34]4[c:35]([CH3:37])[cH:36]3)[CH2:17][CH2:18]1)[CH2:7]2

Participants

7

Reactant 6

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 11454987(+/-)-Methyl 2-(4-(8-fluoro-1,2-dihydro-2-oxoquinazolin-3(4H)-yl)piperidine-1-carboxamido)-3-(7-methyl-1H-indazol-5-yl)propanoate

Product 1

HCID 57794659(+/-)-2-(4-(8-Fluoro-2-oxo-1,2-dihydroquinazolin-3 (4H)-yl)piperidine-1-carboxamido)-3-(7-methyl-1H-indazol-5-yl)propanoic Acid

Sources & evidence

ORD record
ord-c0061fc2093f4de5a572fd4961426a9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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