HRID663340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

结构：O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID67814

Perfluorobutanesulfonyl fluoride

C4F10O2S

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：N#Cc1cc(Cl)ccc1OCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID178509901

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(Cl)ccc1OCC(F)COC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID178509900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62f1b989267a4fa2a9c33582d3b2bf3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[Cl:29][c:30]1[cH:31][cH:32][c:33]([O:38][CH2:39][CH:40]([CH2:41][O:42][C: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)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[OH:62])[c:34]([C:35]#[N:36])[cH:37]1.[F:1][C:2]([F:3])([S:4]([F:5])(=[O:6])=[O:7])[C:8]([F:9])([F:10])[C:11]([F:12])([F:13])[C:14]([F:15])([F:16])[F:17].[N:18]12[CH2:19][CH2:20][CH2:21][N:22]=[C:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2.[Na+:64].[OH-:63]>>[F:1][CH:40]([CH2:39][O:38][c:33]1[cH:32][cH:31][c:30]([Cl:29])[cH:37][c:34]1[C:35]#[N:36])[CH2:41][O:42][C:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1