HRID826540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28123

Tetrahydroborate

H4B-

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

结构：NC(=O)c1cc(F)c(C2=CC(=O)CCC2)nc1Nc1ccc(N2CCOCC2)cc1

HCID57489644

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1cc(F)c(C2=CC(N)CCC2)nc1Nc1ccc(N2CCOCC2)cc1

HCID57489647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9ef4cbb75534bdc97ecd33a0fe0115b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[BH4-:36].[CH3:32][C:33](=[O:34])[O-:35].[CH3:38][OH:39].[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:50][CH:51]([CH3:52])[O-:53].[CH3:54][CH:55]([CH3:56])[O-:57].[CH3:58][CH:59]([CH3:60])[O-:61].[F:1][c:2]1[c:3]([C:24]2=[CH:25][C:26](=[O:30])[CH2:27][CH2:28][CH2:29]2)[n:4][c:5]([NH:11][c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][O:21][CH2:22][CH2:23]3)[cH:16][cH:17]2)[c:6]([C:7](=[O:8])[NH2:9])[cH:10]1.[NH4+:31].[Na+:37].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[Ti+4:49]>>[F:1][c:2]1[c:3]([C:24]2=[CH:25][CH:26]([NH2:31])[CH2:27][CH2:28][CH2:29]2)[n:4][c:5]([NH:11][c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][O:21][CH2:22][CH2:23]3)[cH:16][cH:17]2)[c:6]([C:7](=[O:8])[NH2:9])[cH:10]1