HRID215236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID19660

Carbonate

CO3-2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2757951

4-(3-cyanophenyl)benzoic Acid

C14H9NO2

HCID11075364

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CN(CCCCNC(=O)c1ccc(-c3cccc(C#N)c3)cc1)CC2

HCID18797015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f8663b9f8dc435f931e629859a667a0
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

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