HRID1210121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2776338

1-benzothiophene-3-carbonyl chloride

C9H5ClOS

结构：CC(C)(C)OC(=O)c1ccc(N)cc1Nc1ccc(F)cc1

HCID68958505

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(NC(=O)c2csc3ccccc23)cc1Nc1ccc(F)cc1

HCID68959063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-537d9aa4349f49b69e0147cbc181b08a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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