Acetic Acid → 3-[5-amino-4-(3-formylbenzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

HRID 684522Notes

Reaction equation

HRID 684522 reaction equation
[C:46]([OH:47])(=[O:48])[CH3:49].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[NH2:1][c:2]1[c:3]([C:20]([c:21]2[cH:22][c:23]([CH:27]3[O:28][CH2:31][CH2:30][O:29]3)[cH:24][cH:25][cH:26]2)=[O:32])[cH:4][n:5][n:6]1-[c:7]1[cH:8][c:9]([C:10](=[O:11])[NH:12][CH:13]2[CH2:14][CH2:15]2)[cH:16][cH:17][c:18]1[CH3:19]>>[NH2:1][c:2]1[c:3]([C:20]([c:21]2[cH:22][c:23]([CH:27]=[O:28])[cH:24][cH:25][cH:26]2)=[O:32])[cH:4][n:5][n:6]1-[c:7]1[cH:8][c:9]([C:10](=[O:11])[NH:12][CH:13]2[CH2:14][CH2:15]2)[cH:16][cH:17][c:18]1[CH3:19]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 1140TolueneHCID 8857Ethyl AcetateHCID 113963403-[5-amino-4-(3-[1,3]dioxolan-2-yl-benzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide

Product 1

HCID 112806793-[5-amino-4-(3-formylbenzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

Sources & evidence

ORD record
ord-acd00b582bcb4d108454a2aa498666da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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