HRID142533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

结构：COc1cc2c(cc1OS(=O)(=O)C(F)(F)F)[nH]c1cc(-c3ccccc3Cl)c3c(c12)C(=O)NC3=O

HCID21980479

未命名化合物

结构：CCC[CH2][Sn]([CH]=CCCO)([CH2]CCC)[CH2]CCC

HCID71357085

4-(Tributylstannyl)but-3-en-1-ol

C16H34OSn

PRODUCTS

生成物

结构：COc1cc2c(cc1C=CCCO)[nH]c1cc(-c3ccccc3Cl)c3c(c12)C(=O)NC3=O

HCID69583927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d97ded8158994da0b14e1b27baa9a3cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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