HRID176468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2733314

1-Isocyanato-3,5-bis(trifluoromethyl)benzene

C9H3F6NO

HCID59013924

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2nsnc2OCc2ccncc2)CC(C)N1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID59013803

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-629fc22cb9d740b0b098bdd9c561ea7b
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

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