HRID170165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8254

Dimethyl ether

C2H6O

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID9904841

未命名化合物

HCID16688441

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID9839208

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0dfe460e61eb400cab8fab7db38081a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[CH:22]([CH2:23][N:24]([CH3:25])[CH3:26])[CH:27]([CH2:28][CH3:29])[c:30]1[cH:31][c:32]([O:36][CH3:37])[cH:33][cH:34][cH:35]1.[CH2:5]([Al+:6][CH2:7][CH2:8][CH2:9][CH3:10])[CH2:11][CH2:12][CH3:13].[CH3:1][O:2][CH3:3].[CH3:38][CH2:39][OH:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[ClH:14].[H-:4].[OH2:54]>>[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[CH:22]([CH2:23][N:24]([CH3:25])[CH3:26])[CH:27]([CH2:28][CH3:29])[c:30]1[cH:31][c:32]([OH:36])[cH:33][cH:34][cH:35]1.[ClH:14]