HRID1574958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1C(F)(F)F)C(=O)O

HCID4444636

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic Acid

C15H18F3NO4

HCID57826459

未命名化合物

结构：NC(Cc1cccc(C(F)(F)F)c1)CN1C(=O)c2ccccc2C1=O

HCID178510801

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cl)nn(C)c1-c1csc(C(=O)NC(Cc2cccc(C(F)(F)F)c2)CN2C(=O)c3ccccc3C2=O)c1

HCID178427968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f66ae0fe28ee43e6a939d3dd86cdeafb
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

[CH3:42][C:43]([O:44][C:45]([NH:46][CH:47]([C:48]([OH:49])=[O:50])[CH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][c:57]1[C:58]([F:59])([F:60])[F:61])=[O:62])([CH3:63])[CH3:64].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[CH:74]([Cl:75])([Cl:76])[Cl:77].[Cl:1][c:2]1[n:3][n:4]([CH3:16])[c:5](-[c:8]2[cH:9][c:10]([C:13](=[O:14])[OH:15])[s:11][cH:12]2)[c:6]1[CH3:7].[NH2:17][CH:18]([CH2:19][N:20]1[C:21](=[O:30])[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[C:28]1=[O:29])[CH2:31][c:32]1[cH:33][c:34]([C:38]([F:39])([F:40])[F:41])[cH:35][cH:36][cH:37]1>>[Cl:1][c:2]1[n:3][n:4]([CH3:16])[c:5](-[c:8]2[cH:9][c:10]([C:13](=[O:15])[NH:17][CH:18]([CH2:19][N:20]3[C:21](=[O:30])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[C:28]3=[O:29])[CH2:31][c:32]3[cH:33][c:34]([C:38]([F:39])([F:40])[F:41])[cH:35][cH:36][cH:37]3)[s:11][cH:12]2)[c:6]1[CH3:7]