HRID670061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID2733366

Methyl 3-isocyanatobenzoate

C9H7NO3

结构：CC(C)(C)c1ccc(NCc2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1

HCID22501763

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2ccc(C(C)(C)C)cc2)c1

HCID53870922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a306ee6dd6145cc836891f4321165bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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