HRID113285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7237

o-Xylene

C8H10

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

HCID88389

Fenozan

C17H26O3

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

HCID548437

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(CCC(=O)NCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

HCID5239119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc377db615a04b0fac13389a0e24db6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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