HRID1567059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID12547651

未命名化合物

结构：CNC(=O)C(OS(=O)(=O)c1ccc(C)cc1)c1ccccc1

HCID53427535

未命名化合物

结构：CCn1nc(C)c2c1CCNC2CCc1ccc(C(F)(F)F)cc1

HCID66882844

未命名化合物

PRODUCTS

生成物

结构：CCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2CCc1ccc(C(F)(F)F)cc1

HCID25063545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32d107a9e71746bf88b86d365f62d253
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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