HRID195944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9837177

Isoquinoline-5-sulfonamide

C9H8N2O2S

结构：CCc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(CCOC(=O)Oc2ccccc2)cc1

HCID21876409

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(CCOC(=O)NS(=O)(=O)c2cccc3cnccc23)cc1

HCID21876099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d34843aeb5aa45bd81133c4d110e118a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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