HRID214390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31256

Diacetone alcohol

C6H12O2

HCID105034

Isocyanate

CNO-

HCID604152

1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene

C13H15NO

HCID4149208

Dodecanoate anion

C12H23O2-

2 次

HCID9543249

Dibutyltin ion

C8H18Sn+2

PRODUCTS

生成物

HCID14716541

2-(3-(Prop-1-en-2-yl)phenyl)propan-2-amine

C12H17N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ae0d4be4f3a4c04b491da1e322e92fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1](=[CH2:2])([CH3:3])[c:4]1[cH:5][c:6]([C:7]([CH3:8])([CH3:9])[N:10]=[C:11]=[O:12])[cH:13][cH:14][cH:15]1.[C:27]([O-:28])(=[O:29])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[C:41]([O-:42])(=[O:43])[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH2:55]([Sn+2:56][CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH3:63].[N-:16]=[C:17]=[O:18].[OH2:64].[OH:19][C:20]([CH3:21])([CH3:22])[CH2:23][C:24](=[O:25])[CH3:26]>>[C:1](=[CH2:2])([CH3:3])[c:4]1[cH:5][c:6]([C:7]([CH3:8])([CH3:9])[NH2:10])[cH:13][cH:14][cH:15]1