HRID123326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID68509

Benzenemethanamine, alpha,alpha-dimethyl-

C9H13N

HCID130500

未命名化合物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3ccc(OC)c(C(=O)O)c3)cc12

HCID59275593

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3ccc(OC)c(C(=O)NC(C)(C)c4ccccc4)c3)cc12

HCID59275702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d50eef8b1b3a4d38a61b359d66449880
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

[B-:47]([F:48])([F:49])([F:50])[F:51].[C:37]([CH3:38])([CH3:39])([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[NH2:46].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][cH:23][c:24]([O:30][CH3:31])[c:25]([C:26](=[O:27])[OH:28])[cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1.[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[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>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][cH:23][c:24]([O:30][CH3:31])[c:25]([C:26](=[O:27])[NH:46][C:37]([CH3:38])([CH3:39])[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1