HRID1229559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID12997

1-Decyne

C10H18

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2773532

3-Chloro-2,4-difluorobenzoic acid

C7H3ClF2O2

结构：CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID86315546

未命名化合物

PRODUCTS

生成物

HCID11587416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78b69af1cfc34a71a3e149b074cf3f7b
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

[C:59](=[O:60])([O-:61])[O-:62].[CH3:65][C:66]#[N:67].[CH:13]#[C:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22].[CH:23]1([P:24]([CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2-[c:37]2[c:38]([CH:39]([CH3:40])[CH3:41])[cH:42][c:43]([S:44]([O-:45])(=[O:46])=[O:47])[cH:48][c:49]2[CH:50]([CH3:51])[CH3:52])[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[Cl:1][c:2]1[c:3]([F:12])[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[F:11].[Cs+:63].[Cs+:64].[Na+:58].[OH2:68]>>[c:2]1([C:13]#[C:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[c:3]([F:12])[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[F:11]