HRID1146468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cn(-c2ccc(C=C(CCCCl)C(=O)O)cc2F)cn1

HCID69003185

未命名化合物

HCID77543822

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2ccc(C=C(CCCCl)C(=O)NC(c3cc(F)c(F)c(F)c3)C(C)O)cc2F)cn1

HCID178429905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5db1aa501e94e1b828051c43bd6407b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:27][CH2:28][CH2:29][CH2:30][C:31]([C:32](=[O:33])[OH:34])=[CH:35][c:36]1[cH:37][c:38]([F:48])[c:39](-[n:42]2[cH:43][n:44][c:45]([CH3:47])[cH:46]2)[cH:40][cH:41]1.[ClH:49].[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[NH2:50][CH:51]([CH:52]([CH3:53])[OH:54])[c:55]1[cH:56][c:57]([F:63])[c:58]([F:62])[c:59]([F:61])[cH:60]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:10][n:11]1[c:12]2[c:13]([cH:14][cH:15][cH:16][cH:17]2)[n:18][n:19]1>>[Cl:27][CH2:28][CH2:29][CH2:30][C:31]([C:32](=[O:34])[NH:50][CH:51]([CH:52]([CH3:53])[OH:54])[c:55]1[cH:56][c:57]([F:63])[c:58]([F:62])[c:59]([F:61])[cH:60]1)=[CH:35][c:36]1[cH:37][c:38]([F:48])[c:39](-[n:42]2[cH:43][n:44][c:45]([CH3:47])[cH:46]2)[cH:40][cH:41]1