HRID185951

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

HCID77220149

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cl)nn(C)c1-c1csc(C(=O)NC(CC2CCCCC2)CN2C(=O)c3ccccc3C2=O)c1

HCID178427967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b95002042b54a7facd2228f34e872dd
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

[CH3:38][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].[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][CH:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]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][CH:32]3[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]3)[s:11][cH:12]2)[c:6]1[CH3:7]