HRID2124430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID280

Carbon dioxide

CO2

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID74802

Benzene, 1-isocyano-4-nitro-

C7H4N2O2

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

HCID12983426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-613313fbbe4044b8ad076266f13534c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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