HRID95691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID9483

3-(Trifluoromethyl)phenyl isocyanate

C8H4F3NO

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(N)cc1-c1ccc2c(c1)[nH]c1ncncc12

HCID69046499

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(c1)[nH]c1ncncc12

HCID59774720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62933410251e4da6ba69cb6959689d43
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

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