HRID681031

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

HCID57826455

4-(1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxylic Acid

C9H8N2O2S

结构：NC(Cc1ccc(Cl)c(Cl)c1)CN1C(=O)c2ccccc2C1=O

HCID178510811

未命名化合物

PRODUCTS

生成物

结构：Cn1nccc1-c1csc(C(=O)NC(Cc2ccc(Cl)c(Cl)c2)CN2C(=O)c3ccccc3C2=O)c1

HCID178481803

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2af02e6fd4784f56b435aba86bd4b14b
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

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