HRID686013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID335

o-Cresol

C7H8O

HCID887

Methanol

CH4O

HCID7912

Diisopropylamine

C6H15N

HCID11230196

6-Methyl-4-phenyl-2-chromanol

C16H16O2

HCID13613709

2H-1-Benzopyran-2-ol

C9H8O2

HCID178418361

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ccc(O)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1

HCID5512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-132fe89ef5cc494db35b3fd83e7ae870
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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