HRID312697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID77614

1-(Aminomethyl)cyclohexan-1-ol

C7H15NO

HCID59396622

未命名化合物

PRODUCTS

生成物

结构：O=C(CCNCC1(O)CCCCC1)N1CCc2ccccc2C1C1CCCCC1

HCID25119160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e589cd7ddb65468eab0413e0c3e5ce92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH:2]=[CH2:3])(=[O:4])[N:5]1[CH:6]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[CH2:13][CH2:14]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH:38]([OH:39])([CH3:40])[CH3:41].[ClH:21].[NH2:22][CH2:23][C:24]1([OH:30])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1>>[C:1]([CH2:2][CH2:3][NH:22][CH2:23][C:24]1([OH:30])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1)(=[O:4])[N:5]1[CH:6]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[CH2:13][CH2:14]1