HRID685856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

2 次

HCID14917

Hydrogen fluoride

3 次

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

HCID67814

Perfluorobutanesulfonyl fluoride

C4F10O2S

结构：N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(F)cc3Cl)CC2CO)CC1

HCID178510638

未命名化合物

PRODUCTS

生成物

结构：N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(F)cc3Cl)CC2CF)CC1

HCID178510634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-697b53f2043343b9a2dc0e243a7759ba
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

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