HRID283061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID12476

Benzoic acid, 2-amino-5-chloro-

C7H6ClNO2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：COC(=O)C(N)Cc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

HCID68860410

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)NC(=O)c1cc(Cl)ccc1N

HCID68860946

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fbc01bd70ae4dedb43755b7ffa2516d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:12][O:13][C:14]([CH:15]([CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[cH:24][cH:25][c:26]([O:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:27][cH:28]2)[cH:21][cH:22]1)[NH2:36])=[O:37].[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([Cl:11])[cH:9][cH:10]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[NH2:1][c:2]1[c:3]([C:4](=[O:6])[NH:36][CH:15]([C:14]([O:13][CH3:12])=[O:37])[CH2:16][c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([O:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:27][cH:28]3)[cH:21][cH:22]2)[cH:7][c:8]([Cl:11])[cH:9][cH:10]1