HRID1125959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6918

3-Thiophenecarboxylic acid

C5H4O2S

HCID178509220

未命名化合物

PRODUCTS

产物

HCID16095404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-26099a1497994da39689346ed55566d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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