HRID2135577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID5223213

5-isocyanato-1,3-benzodioxole

C8H5NO3

结构：NC1CCC(N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1

HCID59541166

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(NC(=O)Nc3ccc4c(c3)OCO4)CC2)C1

HCID49763338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73bbd48270234f72834270186ddb314a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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