Hydrochloric Acid → N-[5-[(3,5-dimethoxyphenyl)methoxy]-2H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide

HRID 1114252

Reaction equation

HRID 1114252 reaction equation
[C:41]([CH:42]([CH:43]([C:44]([O-:45])=[O:46])[OH:47])[OH:48])([O-:49])=[O:50].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:23][O:24][c:25]1[cH:26][c:27]([CH2:33][O:34][c:35]2[cH:36][c:37]([NH2:40])[nH:38][n:39]2)[cH:28][c:29]([O:31][CH3:32])[cH:30]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:5][N:6]1[CH2:7][CH2:8][N:9]([c:12]2[cH:13][cH:14][c:15]([C:17]([O:19][CH2:18][CH3:20])=[O:21])[s:16]2)[CH2:10][CH2:11]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[ClH:22].[K+:52].[Na+:51].[OH2:60]>>[CH3:5][N:6]1[CH2:7][CH2:8][N:9]([c:12]2[cH:13][cH:14][c:15]([C:17](=[O:19])[NH:40][c:37]3[cH:36][c:35]([O:34][CH2:33][c:27]4[cH:26][c:25]([O:24][CH3:23])[cH:30][c:29]([O:31][CH3:32])[cH:28]4)[n:39][nH:38]3)[s:16]2)[CH2:10][CH2:11]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 57440415Ethyl 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylate

Product 1

HCID 66589833N-[5-[(3,5-dimethoxyphenyl)methoxy]-2H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide

Sources & evidence

ORD record
ord-f720ed4c72154b81bb626ab9fc93ffe2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

Loading…