HRID205068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl Acetate

C4H8O2

HCID14284

4-(Dimethylamino)pyridine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID23081081

未命名化合物

HCID23081088

未命名化合物

PRODUCTS

产物

HCID69479084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a7169c6d8db14bf987cb15ad70fa5e31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH3:45][N:46]([CH3:47])[c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][OH:13])([CH3:14])[OH:15])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[F:25][C:26]([c:27]1[cH:28][cH:29][c:30]([NH:33][CH:34]2[CH2:35][CH2:36][N:37]([C:40](=[O:41])[Cl:42])[CH2:38][CH2:39]2)[cH:31][cH:32]1)([F:43])[F:44]>>[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][O:13][C:40]([N:37]2[CH2:36][CH2:35][CH:34]([NH:33][c:30]3[cH:29][cH:28][c:27]([C:26]([F:25])([F:43])[F:44])[cH:32][cH:31]3)[CH2:39][CH2:38]2)=[O:41])([CH3:14])[OH:15])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1