HRID122271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

结构：O=C(Cl)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

HCID22047762

未命名化合物

HCID22047885

未命名化合物

PRODUCTS

生成物

结构：O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(N(Cc2cccnc2)C2CC2)CC1

HCID69518560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08f7ac1715504b73974065aea92e763d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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