HRID1226810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID311996

3,4-dichlorobenzohydrazide

C7H6Cl2N2O

HCID66980943

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)C(C)O)ccc(C#N)c1Cl

HCID70671897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f753d9662aa643a19c6382ab9e2834e3
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

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