HRID134091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

结构：COc1ccc(CN(Cc2ccnc3c2cc(-c2cn(C)c4cc(OC)c(OC)cc24)n3S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1

HCID67147742

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccnc3[nH]c(-c4cn(C)c5cc(OC)c(OC)cc45)cc23)S(=O)(=O)c2ccccc2)c(OC)c1

HCID67147745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80b04db93676438eb81c6131a244f315
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

[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][c:17]2[c:18]3[c:19]([n:20][cH:21][cH:22]2)[n:23]([S:40]([c:41]2[cH:42][cH:43][c:44]([CH3:45])[cH:46][cH:47]2)(=[O:48])=[O:49])[c:24](-[c:26]2[cH:27][n:28]([CH3:39])[c:29]4[cH:30][c:31]([O:37][CH3:38])[c:32]([O:35][CH3:36])[cH:33][c:34]24)[cH:25]3)[cH:50][cH:51][c:52]([O:54][CH3:55])[cH:53]1.[K+:57].[OH-:56]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][c:17]2[c:18]3[c:19]([n:20][cH:21][cH:22]2)[nH:23][c:24](-[c:26]2[cH:27][n:28]([CH3:39])[c:29]4[cH:30][c:31]([O:37][CH3:38])[c:32]([O:35][CH3:36])[cH:33][c:34]24)[cH:25]3)[cH:50][cH:51][c:52]([O:54][CH3:55])[cH:53]1