HRID295927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID996

Phenol

C6H6O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7059263

3-Chloro-4-[(3-fluorophenyl)methoxy]aniline

C13H11ClFNO

结构：Cc1cc2ncnc(Oc3ccccc3)c2n1CCOCCOC(=O)c1ccccc1

HCID56851056

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2n1CCOCCOC(=O)c1ccccc1

HCID67521306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a55e972436ca4791917a7785398ea5f1
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

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