HRID2322372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID66839395

未命名化合物

HCID66839516

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=CC(=O)NN2CCCC(c3ccc(Br)cc3)C2=O)ccc1-n1cnc(C)c1

HCID66839214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abe8c8c69e1e46c3a4aca50368b20477
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:15]=[CH:16][C:17](=[O:18])[OH:19])[cH:6][cH:7][c:8]1-[n:9]1[cH:10][n:11][c:12]([CH3:14])[cH:13]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[NH2:20][N:21]1[C:22](=[O:34])[CH:23]([c:27]2[cH:28][cH:29][c:30]([Br:33])[cH:31][cH:32]2)[CH2:24][CH2:25][CH2:26]1.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:35]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:15]=[CH:16][C:17](=[O:19])[NH:20][N:21]2[C:22](=[O:34])[CH:23]([c:27]3[cH:28][cH:29][c:30]([Br:33])[cH:31][cH:32]3)[CH2:24][CH2:25][CH2:26]2)[cH:6][cH:7][c:8]1-[n:9]1[cH:10][n:11][c:12]([CH3:14])[cH:13]1