HRID1215643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID280

Carbon dioxide

CO2

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID95370

2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester

C11H11NO4

结构：c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21

HCID86280045

29H,31H-Phthalocyanine

C32H18N8

HCID178486301

未命名化合物

PRODUCTS

生成物

HCID97826

2-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester

C11H13NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-daaf047c38c34e3abe4780c1f404d57b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:23](=[O:24])=[O:25].[CH2:1]1[O:2][CH2:3][CH2:4][CH2:5]1.[CH2:6]([CH3:7])[O:8][C:9]([CH:10]=[CH:11][c:12]1[cH:13][cH:14][c:15]([N+:18]([O-:19])=[O:20])[cH:16][cH:17]1)=[O:21].[CH3:26][CH2:27][OH:28].[Co+:29].[Li+:30].[OH2:22].[cH:31]1[cH:32][c:33]2[c:34]([c:35]3[n:36][c:37]4[c:38]5[c:39]([c:40]([nH:41]4)[n:42][c:43]4[c:44]6[c:45]([c:46]([n:47]4)[n:48][c:49]4[c:50]7[c:51]([c:52]([nH:53]4)[n:54][c:55]2[n:56]3)[cH:57][cH:58][cH:59][cH:60]7)[cH:61][cH:62][cH:63][cH:64]6)[cH:65][cH:66][cH:67][cH:68]5)[cH:69][cH:70]1>>[CH2:6]([CH3:7])[O:8][C:9]([CH:10]=[CH:11][c:12]1[cH:13][cH:14][c:15]([NH2:18])[cH:16][cH:17]1)=[O:21]