HRID202272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID81531

Diisopropylethylamine

C8H19N

HCID688173

methyl 6-methoxy-1H-indole-2-carboxylate

C11H11NO3

HCID59451405

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2cc(C(=O)NCc3ccc(Cl)c(Oc4cc(Cl)cc(C#N)c4)c3)[nH]c2c1

HCID59451580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ad0409831fe445d95a41a3c3bd51876
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

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