HRID1565092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67364

3-Methyl-4-amino-N,N-diethylaniline

C11H18N2

结构：COc1ncc(C2=NC(N=C=S)C(=O)N(C)c3ccc(Cl)cc32)c(OC)n1

HCID59713943

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)c1ccc(NC(=S)NC2N=C(c3cnc(OC)nc3OC)c3cc(Cl)ccc3N(C)C2=O)c(C)c1

HCID59713614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a9c8ece330c4ecabeee6adb9ecb7158
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:28]([CH3:29])[N:30]([c:31]1[cH:32][c:33]([CH3:38])[c:34]([NH2:37])[cH:35][cH:36]1)[CH2:39][CH3:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:27]1)[C:7]([c:17]1[c:18]([O:25][CH3:26])[n:19][c:20]([O:23][CH3:24])[n:21][cH:22]1)=[N:8][CH:9]([N:14]=[C:15]=[S:16])[C:10](=[O:13])[N:11]2[CH3:12]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:27]1)[C:7]([c:17]1[c:18]([O:25][CH3:26])[n:19][c:20]([O:23][CH3:24])[n:21][cH:22]1)=[N:8][CH:9]([NH:14][C:15](=[S:16])[NH:37][c:34]1[c:33]([CH3:38])[cH:32][c:31]([N:30]([CH2:28][CH3:29])[CH2:39][CH3:40])[cH:36][cH:35]1)[C:10](=[O:13])[N:11]2[CH3:12]