HRID685604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID79019

(+/-)-Valinol

C5H13NO

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C(=O)O)c3c2)c1=O

HCID11187860

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(CO)NC(=O)c1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

HCID20634273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-494f294851414236b9681c09407c208b
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

[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[CH3:9][n:10]1[c:11](=[O:33])[n:12](-[c:21]2[cH:22][cH:23][c:24]3[c:25]([c:26]([C:29](=[O:30])[OH:31])[n:27][s:28]3)[cH:32]2)[c:13](=[O:20])[cH:14][c:15]1[C:16]([F:17])([F:18])[F:19].[Cl-:8].[NH2:1][CH:2]([CH2:3][OH:4])[CH:5]([CH3:6])[CH3:7].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1>>[NH:1]([CH:2]([CH2:3][OH:4])[CH:5]([CH3:6])[CH3:7])[C:29]([c:26]1[c:25]2[c:24]([cH:23][cH:22][c:21](-[n:12]3[c:11](=[O:33])[n:10]([CH3:9])[c:15]([C:16]([F:17])([F:18])[F:19])[cH:14][c:13]3=[O:20])[cH:32]2)[s:28][n:27]1)=[O:30]