HRID153865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID57813427

未命名化合物

PRODUCTS

产物

HCID44180875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-69549d9c4ed249e5a85e841d07aab2a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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