HRID88138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID7618

Triethanolamine

C6H15NO3

HCID7969

Benzenethiol

C6H6S

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：CC12CCC(=O)C=C1CCC1C2CCC2(C)C(=O)CC(O)C12

HCID627415

未命名化合物

PRODUCTS

生成物

结构：CC12CCC(=O)C(CSc3ccccc3)=C1CCC1C2CCC2(C)C(=O)CC(O)C12

HCID178421395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-972571f867e94313b309ea65b380f7cb
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:32]([O:33][CH2:34][CH3:35])(=[O:36])[CH3:37].[CH2:30]=[O:31].[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[OH:1][CH:2]1[CH2:3][C:4](=[O:22])[C:5]2([CH3:6])[CH:7]1[CH:8]1[CH2:9][CH2:10][C:11]3=[CH:12][C:13](=[O:21])[CH2:14][CH2:15][C:16]3([CH3:17])[CH:18]1[CH2:19][CH2:20]2.[OH:44][CH2:45][CH2:46][N:47]([CH2:48][CH2:49][OH:50])[CH2:51][CH2:52][OH:53].[SH:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[OH:1][CH:2]1[CH2:3][C:4](=[O:22])[C:5]2([CH3:6])[CH:7]1[CH:8]1[CH2:9][CH2:10][C:11]3=[C:12]([CH2:32][S:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[C:13](=[O:21])[CH2:14][CH2:15][C:16]3([CH3:17])[CH:18]1[CH2:19][CH2:20]2