HRID155332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID14232

N-Methoxymethylamine

C2H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COc1cn(-c2cc(F)c(Br)cc2F)nc(C(=O)O)c1=O

HCID58072325

未命名化合物

PRODUCTS

生成物

结构：COc1cn(-c2cc(F)c(Br)cc2F)nc(C(=O)N(C)OC)c1=O

HCID58072346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9458a7f6285e4e789f5e8b7a51851227
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

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