HRID1537006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2774589

4-Fluoro-3-methylbenzoyl chloride

C8H6ClFO

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)c3ccc(F)c(C)c3)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID11947857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c6d7f5b404147908e8624c1b496095e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[F:30][c:31]1[c:32]([CH3:40])[cH:33][c:34]([C:35](=[O:36])[Cl:37])[cH:38][cH:39]1.[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>>[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:35]([c:34]1[cH:33][c:32]([CH3:40])[c:31]([F:30])[cH:39][cH:38]1)=[O:36]