HRID1238739

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7510

Nicotinyl alcohol

C6H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

结构：COc1nc2cc(Cl)c(Cl)c(NS(C)(=O)=O)c2nc1OC

HCID54321377

未命名化合物

PRODUCTS

生成物

结构：COc1nc2cc(Cl)c(Cl)c(N(Cc3cccnc3)S(C)(=O)=O)c2nc1OC

HCID22097013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ef01d18beaf434e9b8c7b7028d9e028
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

[Cl:13][c:14]1[c:15]([NH:29][S:30](=[O:31])(=[O:32])[CH3:33])[c:16]2[n:17][c:18]([O:27][CH3:28])[c:19]([O:25][CH3:26])[n:20][c:21]2[cH:22][c:23]1[Cl:24].[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[OH:34][CH2:35][c:36]1[cH:37][n:38][cH:39][cH:40][cH:41]1.[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[Cl:13][c:14]1[c:15]([N:29]([S:30](=[O:31])(=[O:32])[CH3:33])[CH2:35][c:36]2[cH:37][n:38][cH:39][cH:40][cH:41]2)[c:16]2[n:17][c:18]([O:27][CH3:28])[c:19]([O:25][CH3:26])[n:20][c:21]2[cH:22][c:23]1[Cl:24]