HRID1548088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID21093485

未命名化合物

HCID21093647

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc2c(c1)C(N1CCNC(CCc3cccc(F)c3)C1)=Nc1ccccc1N2

HCID21093608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09fa146ad6c746aba427a864d5aff9b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][S:43]([CH3:44])=[O:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]2[c:7]([cH:18][cH:19]1)[NH:8][c:9]1[c:10]([cH:14][cH:15][cH:16][cH:17]1)[N:11]=[C:12]2[NH2:13].[F:20][c:21]1[cH:22][c:23]([CH2:27][CH2:28][CH:29]2[NH:30][CH2:31][CH2:32][NH:33][CH2:34]2)[cH:24][cH:25][cH:26]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]2[c:7]([cH:18][cH:19]1)[NH:8][c:9]1[c:10]([cH:14][cH:15][cH:16][cH:17]1)[N:11]=[C:12]2[N:13]1[CH2:32][CH2:31][NH:30][CH:29]([CH2:28][CH2:27][c:23]2[cH:22][c:21]([F:20])[cH:26][cH:25][cH:24]2)[CH2:34]1