HRID152199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID78928

2-Thiophenecarbonyl chloride

C5H3ClOS

结构：CSc1nc(-c2cc(N)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID59212679

未命名化合物

PRODUCTS

生成物

结构：CSc1nc(-c2cc(NC(=O)c3cccs3)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID11948285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d159b2c9817f4ea6b542343273d83450
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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