HRID1203850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：COc1ccc(Oc2c(C)cc(-n3nc(C(=O)O)c(=O)[nH]c3=O)cc2C)cc1Br

HCID22339438

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Oc2c(C)cc(-n3nc(C(=O)NCc4ccccc4)c(=O)[nH]c3=O)cc2C)cc1Br

HCID69707610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5fe733f03774764a47cdcadcea86649
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:9][c:10]1[cH:11][c:12]([O:13][c:14]2[c:15]([CH3:32])[cH:16][c:17](-[n:21]3[n:22][c:23]([C:29](=[O:30])[OH:31])[c:24](=[O:28])[nH:25][c:26]3=[O:27])[cH:18][c:19]2[CH3:20])[cH:33][cH:34][c:35]1[O:36][CH3:37].[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[NH2:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C:29]([c:23]1[n:22][n:21](-[c:17]2[cH:16][c:15]([CH3:32])[c:14]([O:13][c:12]3[cH:11][c:10]([Br:9])[c:35]([O:36][CH3:37])[cH:34][cH:33]3)[c:19]([CH3:20])[cH:18]2)[c:26](=[O:27])[nH:25][c:24]1=[O:28])=[O:30]