HRID1208830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

结构：COc1cc2c(-c3cc4c(CNc5ccc(N6CCCCC6)cc5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

HCID67147698

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(-c3cc4c(CNc5ccc(N6CCCCC6)cc5)ccnc4[nH]3)cn(C)c2cc1OC

HCID67147811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5da8553e76d343aa98b660abeb203478
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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