HRID1138235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID62603

Methyl 3,5-bis(tert-butyl)-4-hydroxyhydrocinnamate

C18H28O3

HCID78798

Octaethylene glycol

C16H34O9

HCID54233785

未命名化合物

PRODUCTS

生成物

HCID78798

Octaethylene glycol

C16H34O9

结构：CC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1O

HCID88389

Fenozan

C17H26O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08d6befc13744764a0b42418c0d49cc4
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]([CH3:44])([CH3:45])([CH3:46])[c:47]1[cH:48][c:49]([CH2:58][CH2:59][C:60](=[O:61])[O:62][CH3:63])[cH:50][c:51]([C:54]([CH3:55])([CH3:56])[CH3:57])[c:52]1[OH:53].[CH2:1]([CH2:2][O:3][CH2:4][CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][O:15][CH2:16][CH2:17][O:18][CH2:19][CH2:20][O:21][CH2:22][CH2:23][OH:24])[OH:25].[CH3:26][c:27]1[cH:28][c:29]([CH2:30][C:31]([O:32][CH3:33])=[O:34])[cH:35][c:36]([C:37]([CH3:38])([CH3:39])[CH3:40])[c:41]1[OH:42]>>[C:43]([CH3:44])([CH3:45])([CH3:46])[c:47]1[cH:48][c:49]([CH2:58][CH2:59][C:60](=[O:61])[OH:62])[cH:50][c:51]([C:54]([CH3:55])([CH3:56])[CH3:57])[c:52]1[OH:53].[CH2:1]([CH2:2][O:3][CH2:4][CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][O:15][CH2:16][CH2:17][O:18][CH2:19][CH2:20][O:21][CH2:22][CH2:23][OH:24])[OH:25]