HRID90710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

HCID962

Water

H2O

HCID1032

未命名化合物

HCID3102

Benzophenone

C13H10O

HCID8900

Heptane

C7H16

HCID96359

2-Ethylhexyl cyanoacetate

C11H19NO2

PRODUCTS

生成物

结构：CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

HCID22571

2-Ethylhexyl-2-cyano-3,3-diphenylacrylate

C24H27NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8eace08c6ab49dfb6b33f35ee79a312
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](#[N:2])[CH2:3][C:4](=[O:5])[O:6][CH2:7][CH:8]([CH2:9][CH2:10][CH2:11][CH3:12])[CH2:13][CH3:14].[CH3:30][C:31](=[O:32])[O-:33].[CH3:34][CH2:35][C:36](=[O:37])[OH:38].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[NH4+:29].[O:15]=[C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[OH2:46]>>[C:1](#[N:2])[C:3]([C:4](=[O:5])[O:6][CH2:7][CH:8]([CH2:9][CH2:10][CH2:11][CH3:12])[CH2:13][CH3:14])=[C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1