HRID1144414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2776493

4-(4-Methylpiperazino)benzylamine

C12H19N3

HCID178524946

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(CNC(=O)c3n[nH]cc3-c3ccc(Cl)cc3Cl)cc2)CC1

HCID178480668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f8652247d544539bd6b076c86c8bec2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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