HRID1210697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCCCCCN(c1ccc(F)c(C(=O)OC)c1)S(=O)(=O)c1ccc(C#Cc2ccc(CCCC)cc2)cc1

HCID57554500

Methyl 5-[({4-[(4-butylphenyl)ethynyl]phenyl}sulfonyl)(hexyl)amino]-2-fluorobenzoate

C32H36FNO4S

PRODUCTS

生成物

结构：CCCCCCN(c1ccc(F)c(C(=O)O)c1)S(=O)(=O)c1ccc(C#Cc2ccc(CCCC)cc2)cc1

HCID11563938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-543aad483fb844f2a61821a8c8b52f07
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

[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[N:22]([c:23]3[cH:24][cH:25][c:26]([F:33])[c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32]3)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[cH:17][cH:18]2)[cH:9][cH:10]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[ClH:44].[Li+:42].[OH-:41].[OH2:40].[OH2:43]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[N:22]([c:23]3[cH:24][cH:25][c:26]([F:33])[c:27]([C:28](=[O:29])[OH:30])[cH:32]3)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[cH:17][cH:18]2)[cH:9][cH:10]1