HRID2157314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：COCOc1ccc(C2(O)CCC(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)CC2)c(OCOC)c1

HCID53816918

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccc(C2=CCC(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)CC2)c(OCOC)c1

HCID22337758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3db69bd6554640a9880262fc1edff4c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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