HRID681709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC(C)(C)[Si](C)(C)OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(C=CC(=O)Nc2ccccc2N)cc1

HCID66621918

未命名化合物

PRODUCTS

生成物

结构：Nc1ccccc1NC(=O)C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1

HCID66622582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81957dbf00804c91b83943ff0190ef31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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