HRID190786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

结构：COc1cc2c(nc1OC)c(-c1cc3c(CNC4CC4)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

HCID68468463

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(nc1OC)c(-c1cc3c(CNC4CC4)ccnc3[nH]1)cn2C

HCID68467161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4ef5766f1da43639c8a70bdf8fc1780
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

[CH3:41][OH:42].[CH:1]1([NH:4][CH2:5][c:6]2[c:7]3[c:8]([n:9][cH:10][cH:11]2)[n:12]([S:29]([c:30]2[cH:31][cH:32][c:33]([CH3:34])[cH:35][cH:36]2)(=[O:37])=[O:38])[c:13](-[c:15]2[cH:16][n:17]([CH3:28])[c:18]4[c:19]2[n:20][c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[cH:14]3)[CH2:2][CH2:3]1.[Cl:44][CH2:45][Cl:46].[K+:40].[OH-:39].[OH2:43]>>[CH:1]1([NH:4][CH2:5][c:6]2[c:7]3[c:8]([n:9][cH:10][cH:11]2)[nH:12][c:13](-[c:15]2[cH:16][n:17]([CH3:28])[c:18]4[c:19]2[n:20][c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[cH:14]3)[CH2:2][CH2:3]1