HRID1133685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21939771

未命名化合物

结构：CSc1nc(Cl)c2c(n1)NCCCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2=O

HCID22053599

未命名化合物

PRODUCTS

生成物

结构：CSc1nc2c(c(-c3ccc(F)cc3)n1)C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCN2

HCID22053572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11967e5384364480a3a9d7fdb03f1ed0
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

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