HRID1217069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID7963

4-Methylpyridine

C6H7N

HCID8028

Tetrahydrofuran

C4H8O

HCID3280088

未命名化合物

结构：O=C(OCc1ccccc1)c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F

HCID58477118

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccncc1)c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F

HCID58477120

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63b51cfab35a464ea127eaa49e7e4a6d
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

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