Acetic Acid → Acetic Acid

HRID 2133476Notes

Reaction equation

HRID 2133476 reaction equation
[CH3:42][C:43]([OH:44])=[O:45].[CH3:46][C:47]([CH2:48][CH3:49])=[O:50].[CH:1]1([C:4](=[O:5])[NH:6][c:7]2[n:8][c:9]3[n:10]([cH:11][c:12]([O:15][c:16]4[c:17]([F:40])[cH:18][c:19]([NH:22][C:23](=[O:24])[c:25]5[c:26](=[O:39])[n:27](-[c:32]6[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]6)[c:28]([CH3:31])[cH:29][cH:30]5)[cH:20][cH:21]4)[cH:13][cH:14]3)[cH:41]2)[CH2:2][CH2:3]1.[OH2:51]>>[CH3:42][C:43](=[O:44])[OH:45].[CH:1]1([C:4](=[O:5])[NH:6][c:7]2[n:8][c:9]3[n:10]([cH:11][c:12]([O:15][c:16]4[c:17]([F:40])[cH:18][c:19]([NH:22][C:23](=[O:24])[c:25]5[c:26](=[O:39])[n:27](-[c:32]6[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]6)[c:28]([CH3:31])[cH:29][cH:30]5)[cH:20][cH:21]4)[cH:13][cH:14]3)[cH:41]2)[CH2:2][CH2:3]1

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 6569Methyl Ethyl KetoneHCID 44462744N-[4-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

Product 2

HCID 176Acetic AcidHCID 44462744N-[4-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

Sources & evidence

ORD record
ord-1c3fff89df434bf7a93f5492a9fc9d19
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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