HRID96414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66560

1-Naphthalenesulfonyl chloride

C10H7ClO2S

结构：O=C(Nc1ccc2c(c1)CCNC2)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID11014758

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc2c(c1)CCN(S(=O)(=O)c1cccc3ccccc13)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID15434259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26a94aaf5bfc42a18e520c7e336ab472
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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