Benzoic Acid → Benzoic Acid

HRID 134836Notes

Reaction equation

HRID 134836 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([O:13][c:14]3[c:15]([F:45])[cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]4[c:24](=[O:44])[n:25](-[c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[n:26]([CH2:29][CH:30]([CH3:31])[O:32][C:33]([CH:34]([CH3:35])[NH2:36])=[O:37])[c:27]4[CH3:28])[cH:18][cH:19]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1.[OH:46][C:47](=[O:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([O:13][c:14]3[c:15]([F:45])[cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]4[c:24](=[O:44])[n:25](-[c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[n:26]([CH2:29][CH:30]([CH3:31])[O:32][C:33]([CH:34]([CH3:35])[NH2:36])=[O:37])[c:27]4[CH3:28])[cH:18][cH:19]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1.[O:46]=[C:47]([OH:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1

Participants

4

Reactant 2

HCID 243Benzoic AcidHCID 666706531-[4-[[3-Fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-aminopropanoate

Product 2

HCID 243Benzoic AcidHCID 666706531-[4-[[3-Fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-aminopropanoate

Sources & evidence

ORD record
ord-fc5a9cc5fda04e3fb890fbccec7602c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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