HRID147972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID67993

lpha,alpha,alpha-Trifluoro-4-iodotoluene

C7H4F3I

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：C=CCC(O)c1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)OCC)CC3)cc2)cc1

HCID66577400

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C(O)CC=Cc4ccc(C(F)(F)F)cc4)cc3)cc2)CC1

HCID67092634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f90a3db92e745fa9a242dacb7b242a9
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

[C:43](=[O:44])([O-:45])[O-:46].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([CH:27]([CH2:28][CH:29]=[CH2:30])[OH:31])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1.[Cs+:47].[Cs+:48].[I:32][c:33]1[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]1.[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[Pd+2:49]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([CH:27]([CH2:28][CH:29]=[CH:30][c:33]5[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]5)[OH:31])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1