HRID178796

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

HCID57826657

未命名化合物

HCID76708923

未命名化合物

PRODUCTS

生成物

结构：Cc1cnn(C)c1-c1cc(C(=O)NC(Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)sc1C

HCID178430945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1603e56d791f400eacd6d7a573215b35
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][n:2]1[n:3][cH:4][c:5]([CH3:16])[c:6]1-[c:7]1[cH:8][c:9]([C:13](=[O:14])[OH:15])[s:10][c:11]1[CH3:12].[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].[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]([F:38])[cH:35][cH:36][cH:37]1>>[CH3:1][n:2]1[n:3][cH:4][c:5]([CH3:16])[c:6]1-[c:7]1[cH:8][c:9]([C:13](=[O:15])[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][c:34]([F:38])[cH:35][cH:36][cH:37]2)[s:10][c:11]1[CH3:12]