查数据/反应详情

HRID1227950

反应详情

EQUATION

反应方程式

HRID 1227950 的结构方程式

REACTANTS

反应物

2

结构：CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1

Diuron

C9H10Cl2N2O

结构：CCNc1nc(NC(C)(C)C)nc(SC)n1

Terbutryn

C10H19N5S

PRODUCTS

生成物

1

结构：CSc1nc(NC2CC2)nc(NC(C)(C)C)n1

Cybutryne

C11H19N5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29ad589fecc24738bf02e2cb1e631f90
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

[CH3:15][CH2:16][NH:17][c:18]1[n:19][c:20]([NH:21][C:22]([CH3:23])([CH3:24])[CH3:25])[n:26][c:27]([S:28][CH3:29])[n:30]1.[CH3:1][N:2]([C:3]([NH:4][c:5]1[cH:6][c:7]([Cl:8])[c:9]([Cl:10])[cH:11][cH:12]1)=[O:13])[CH3:14]>>[CH2:1]1[CH2:15][CH:16]1[NH:17][c:18]1[n:19][c:20]([NH:21][C:22]([CH3:23])([CH3:24])[CH3:25])[n:26][c:27]([S:28][CH3:29])[n:30]1

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