HRID100243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11182605

O-(cyclopropylmethyl)hydroxylamine

C4H9NO

HCID57636936

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2ccc(Br)cc2F)c(C(=O)NOCC2CC2)ccc1=O

HCID11212015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c84b7edbfc14590a1882e171a4474c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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