HRID1133014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCCCOc1ccc(OC)cc1-c1cc(CCl)ccc1C(C)(C)C

HCID57672472

未命名化合物

HCID76589049

未命名化合物

PRODUCTS

生成物

结构：CC=CC(CC(=O)OCC)c1ccc(OCc2ccc(C(C)(C)C)c(-c3cc(OC)ccc3OCCCC)c2)cc1

HCID178445472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93be620d69e7449686688123d0301a11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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