HRID683770

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

HCID57826785

未命名化合物

HCID178510818

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(Cl)c1-c1cc(C(=O)NC(Cc2ccc(F)cc2)CN2C(=O)c3ccccc3C2=O)sc1Cl

HCID178481833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab1655cfe1e84bf98207c8de2b21e5b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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