HRID1150712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：Cn1cc(C(=O)O)c(Nc2ccc(Br)cc2F)cc1=O

HCID11580925

未命名化合物

HCID21867017

O-[2-(Ethenyloxy)ethyl]hydroxylamine

C4H9NO2

PRODUCTS

产物

反应SMILES：C=COCCONC(=O)c1cn(C)c(=O)cc1Nc1ccc(Br)cc1F

HCID11546369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-53b9065e2e8d414683316e75733cbda6
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

[Br:1][c:2]1[cH:3][c:4]([F:20])[c:5]([NH:8][c:9]2[c:10]([C:17](=[O:18])[OH:19])[cH:11][n:12]([CH3:16])[c:13](=[O:15])[cH:14]2)[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].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[CH:42](=[CH2:43])[O:44][CH2:45][CH2:46][O:47][NH2:48].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[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[c:10]([C:17](=[O:19])[NH:48][O:47][CH2:46][CH2:45][O:44][CH:42]=[CH2:43])[cH:11][n:12]([CH3:16])[c:13](=[O:15])[cH:14]2)[cH:6][cH:7]1