HRID1543131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID7618

Triethanolamine

C6H15NO3

HCID7969

Benzenethiol

C6H6S

结构：CC12CCC(=O)C=C1CCC1C2CCC2(C)C1C=CC2(C)O

HCID178421275

未命名化合物

PRODUCTS

生成物

结构：CC12CCC(=O)C(CSc3ccccc3)=C1CCC1C2CCC2(C)C1C=CC2(C)O

HCID178421394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aec4eea130f249f09706719969fca57b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:30]=[O:31].[OH:1][C:2]1([CH3:22])[C:3]2([CH3:4])[CH:5]([CH: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:32][CH2:33][CH2:34][N:35]([CH2:36][CH2:37][OH:38])[CH2:39][CH2:40][OH:41].[SH:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[OH:1][C:2]1([CH3:22])[C:3]2([CH3:4])[CH:5]([CH:6]=[CH:7]1)[CH:8]1[CH2:9][CH2:10][C:11]3=[C:12]([CH2:30][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