HRID1202620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2735875

1-(2-Cyanophenyl)piperazine

C11H13N3

结构：CN(Cc1cccc(Br)c1)C1CC(C(=O)O)N(Cc2ccccc2)C1

HCID67547900

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1cccc(Br)c1)C1CC(C(=O)N2CCN(c3ccccc3C#N)CC2)N(Cc2ccccc2)C1

HCID67546941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20f7f2130b24471ba7d65deba78834fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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