HRID1211334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID81531

Diisopropylethylamine

C8H19N

HCID21081621

未命名化合物

HCID140496304

未命名化合物

PRODUCTS

产物

反应SMILES：N=C(NC(=O)Cc1ccc(F)cc1)Nc1ccc(Oc2ncnn3cccc23)c(F)c1

HCID178512405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8304237c05824db8b5b10fde736c4f38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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