HRID813094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

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

HCID69004932

未命名化合物

HCID77543822

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2ccc(C=C3CC(C)CN(C(c4cc(F)c(F)c(F)c4)C(C)O)C3=O)cc2F)cn1

HCID178429899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1ef122f7bc447dd98459d6e1e350bf7
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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