Hydrochloric Acid → N-[5-[(3,5-dimethoxyphenyl)methoxy]-2H-pyrazol-3-yl]-5-(3,3-dimethylpiperazin-1-yl)thiophene-2-carboxamide

HRID 1552452Notes

Reaction equation

HRID 1552452 reaction equation
[C:42]([CH:43]([CH:44]([C:45]([O-:46])=[O:47])[OH:48])[OH:49])([O-:50])=[O:51].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:24][O:25][c:26]1[cH:27][c:28]([CH2:34][O:35][c:36]2[cH:37][c:38]([NH2:41])[nH:39][n:40]2)[cH:29][c:30]([O:32][CH3:33])[cH:31]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:5][C:6]1([CH3:22])[CH2:7][N:8]([c:12]2[cH:13][cH:14][c:15]([C:17]([O:19][CH2:18][CH3:20])=[O:21])[s:16]2)[CH2:9][CH2:10][NH:11]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[ClH:23].[K+:53].[Na+:52].[OH2:61]>>[CH3:5][C:6]1([CH3:22])[CH2:7][N:8]([c:12]2[cH:13][cH:14][c:15]([C:17](=[O:19])[NH:41][c:38]3[cH:37][c:36]([O:35][CH2:34][c:28]4[cH:27][c:26]([O:25][CH3:24])[cH:31][c:30]([O:32][CH3:33])[cH:29]4)[n:40][nH:39]3)[s:16]2)[CH2:9][CH2:10][NH:11]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 38061142,3-DihydroxybutanedioateHCID 16682925TrimethylaluminumHCID 574403815-[(3,5-dimethoxyphenyl)methoxy]-2H-pyrazol-3-amineHCID 66589679Ethyl 5-(3,3-dimethylpiperazin-1-yl)thiophene-2-carboxylate

Product 1

HCID 66589889N-[5-[(3,5-dimethoxyphenyl)methoxy]-2H-pyrazol-3-yl]-5-(3,3-dimethylpiperazin-1-yl)thiophene-2-carboxamide

Sources & evidence

ORD record
ord-8c2dcdd2e7b947628e11cdf73d0024dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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