HRID91600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID20746057

未命名化合物

HCID22143563

7-Chloro-2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridine

C11H8ClN3S

PRODUCTS

产物

HCID10194554

5-(2-[1-methyl-1H-imidazol-2-yl]thieno[3,2-b]pyridin-7-ylamino)-2-methylindole-1-carboxylic acid methylamide

C22H20N6OS

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3159db8c3ef64781a8a6a2daf8ebb7f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH2:17]1[O:18][CH2:19][CH2:20][O:21][CH2:22]1.[CH3:1][NH:2][C:3](=[O:4])[n:5]1[c:6]([CH3:15])[cH:7][c:8]2[cH:9][c:10]([NH2:14])[cH:11][cH:12][c:13]12.[CH3:44][CH:45]([OH:46])[CH3:47].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:23][c:24]1[c:25]2[c:26]([n:27][cH:28][cH:29]1)[cH:30][c:31](-[c:33]1[n:34]([CH3:38])[cH:35][cH:36][n:37]1)[s:32]2.[ClH:16].[Na+:43].[O-:39][C:40]([OH:41])=[O:42].[OH2:48]>>[CH3:1][NH:2][C:3](=[O:4])[n:5]1[c:6]([CH3:15])[cH:7][c:8]2[cH:9][c:10]([NH:14][c:24]3[c:25]4[c:26]([n:27][cH:28][cH:29]3)[cH:30][c:31](-[c:33]3[n:34]([CH3:38])[cH:35][cH:36][n:37]3)[s:32]4)[cH:11][cH:12][c:13]12