1-Butanol → 4-(3-Dimethylamino-phenylamino)-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide

HRID 283811

Reaktionsgleichung

Reaktionsgleichung von HRID 283811
[CH2:63]([OH:64])[CH2:65][CH2:66][CH3:67].[CH3:1][c:2]1[c:3]([NH:27][C:28](=[O:29])[n:30]2[cH:31][cH:32][c:33]3[c:34]2[n:35][cH:36][n:37][c:38]3[Cl:39])[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12](-[n:20]3[cH:21][n:22][c:23]([CH3:25])[cH:24]3)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)=[O:26])[cH:6][cH:7]1.[CH3:42][N:43]([c:44]1[cH:45][c:46]([NH2:50])[cH:47][cH:48][cH:49]1)[CH3:51].[CH3:52][C:53](=[O:54])[Cl:55].[ClH:40].[ClH:41].[NH2:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[CH3:1][c:2]1[c:3]([NH:27][C:28](=[O:29])[n:30]2[cH:31][cH:32][c:33]3[c:34]2[n:35][cH:36][n:37][c:38]3[NH:50][c:46]2[cH:45][c:44]([N:43]([CH3:42])[CH3:51])[cH:49][cH:48][cH:47]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12](-[n:20]3[cH:21][n:22][c:23]([CH3:25])[cH:24]3)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)=[O:26])[cH:6][cH:7]1

Komponenten

7

Edukt 6

HCID 2631-ButanolHCID 313Hydrochloric Acid2×HCID 6115AnilineHCID 6367Acetyl chlorideHCID 76084N,N-dimethyl-m-phenylenediamineHCID 596739784-Chloro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide

Produkt 1

HCID 114907314-(3-Dimethylamino-phenylamino)-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide

Quellen und Nachweise

ORD-Eintrag
ord-9ca783a7bf2d46298a1f8d5b79173413
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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