HRID2138728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID28486

Lithium ion

Li+

HCID408921

未命名化合物

HCID69070819

1-(Pyridin-2-yl)cyclopentane-1-carboxylic acid

C11H13NO2

PRODUCTS

生成物

结构：CC(NC(=O)C1(c2ccccn2)CCCC1)C(Cc1ccc(Cl)cc1)c1ccccc1

HCID10194828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2185dd548d34438389a2433d60978d0c
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

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