HRID152790

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID81531

Diisopropylethylamine

C8H19N

HCID737363

4-(Difluoromethoxy)aniline

C7H7F2NO

结构：COc1cc2ncnc(C3CCN(C(=O)Cl)CC3)c2cc1OC

HCID58770714

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(OC(F)F)cc4)CC3)c2cc1OC

HCID58770716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ede2fa608dac47f6b101d08a3326bc37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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