Hydrochloric Acid → Methyl 5-[2-amino-5-[(4-methylpiperazin-1-yl)methyl]anilino]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate

HRID 1236901Notes

Reaction equation

HRID 1236901 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]([N+:38]([O-:39])=[O:40])[c:13]([NH:15][c:16]3[cH:17][c:18]([O:25][CH:26]([CH3:27])[c:28]4[c:29]([C:34]([F:35])([F:36])[F:37])[cH:30][cH:31][cH:32][cH:33]4)[c:19]([C:21](=[O:22])[O:23][CH3:24])[s:20]3)[cH:14]2)[CH2:6][CH2:7]1.[CH3:42][O:43][CH:44]([O:45][CH3:46])[O:47][CH3:48].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[ClH:41]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]([NH2:38])[c:13]([NH:15][c:16]3[cH:17][c:18]([O:25][CH:26]([CH3:27])[c:28]4[c:29]([C:34]([F:35])([F:36])[F:37])[cH:30][cH:31][cH:32][cH:33]4)[c:19]([C:21](=[O:22])[O:23][CH3:24])[s:20]3)[cH:14]2)[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 1140TolueneHCID 9005Trimethyl orthoformateHCID 74944122HCID 74944122, compound

Product 1

HCID 76559482Methyl 5-[2-amino-5-[(4-methylpiperazin-1-yl)methyl]anilino]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate

Sources & evidence

ORD record
ord-981dc9b1893b4085a6d6d51e86113c1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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