HRID1542332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2759168

4-(chloromethyl)-1-fluoro-2-(trifluoromethyl)benzene

C8H5ClF4

HCID59011970

未命名化合物

PRODUCTS

生成物

结构：COc1ncnc2sc(NC(=O)N3CCN(C(=O)c4ccc(F)c(C(F)(F)F)c4)CC3)nc12

HCID24831724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53598f705c1345d28ee0c4a7ae824602
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

[CH2:43]([Cl:44])[Cl:45].[CH3:2][O:3][c:4]1[c:5]2[c:6]([n:7][cH:8][n:9]1)[s:10][c:11]([NH:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1)[n:12]2.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[ClH:1].[F:22][c:23]1[c:24]([C:31]([F:32])([F:33])[F:34])[cH:25][c:26]([CH2:27][Cl:28])[cH:29][cH:30]1.[OH2:42]>>[CH3:2][O:3][c:4]1[c:5]2[c:6]([n:7][cH:8][n:9]1)[s:10][c:11]([NH:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][N:19]([C:27]([c:26]3[cH:25][c:24]([C:31]([F:32])([F:33])[F:34])[c:23]([F:22])[cH:30][cH:29]3)=[O:42])[CH2:20][CH2:21]1)[n:12]2