HRID165165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID498716

未命名化合物

HCID2736407

ethyl 4,6-dichloro-1H-indole-2-carboxylate

C11H9Cl2NO2

HCID10856925

2-[(3-Aminopropyl)amino]-4(1H)-quinolinone

C12H15N3O

HCID16685030

未命名化合物

PRODUCTS

生成物

结构：O=c1cc(NCCCNCc2cc3c(Cl)cc(Cl)cc3[nH]2)[nH]c2ccccc12

HCID44533960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68d270a79be044feaf8a58dbee0a8f7a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:52]([BH3-:53])#[N:54].[C:63]([OH:64])(=[O:65])[CH3:66].[CH2:18]([N:19]([Al:20]([N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])[N:26]([CH2:27][CH3:28])[CH2:29][CH3:30])[CH2:31][CH3:32])[CH3:33].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:61][OH:62].[CH3:67][CH2:68][O:69][CH2:70][CH3:71].[Cl:1][c:2]1[c:3]2[cH:4][c:5]([C:12]([O:13][CH2:14][CH3:15])=[O:16])[nH:6][c:7]2[cH:8][c:9]([Cl:11])[cH:10]1.[ClH:35].[H-:17].[NH2:36][CH2:37][CH2:38][CH2:39][NH:40][c:41]1[nH:42][c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[c:49](=[O:51])[cH:50]1.[Na+:34].[Na+:55].[OH2:72]>>[Cl:1][c:2]1[c:3]2[cH:4][c:5]([CH2:12][NH:36][CH2:37][CH2:38][CH2:39][NH:40][c:41]3[nH:42][c:43]4[cH:44][cH:45][cH:46][cH:47][c:48]4[c:49](=[O:51])[cH:50]3)[nH:6][c:7]2[cH:8][c:9]([Cl:11])[cH:10]1