HRID103761

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10816

4-Chlorobenzohydrazide

C7H7ClN2O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1cc(N2CCOCC2)cc(C)c1-c1nc2ccc(C(=O)O)cc2[nH]1

HCID66966792

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CCOCC2)cc(C)c1-c1nc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2[nH]1

HCID66966387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec5cf77bc18f457bac3d057c36908464
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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