HRID1124062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8076

2-Ethoxyethanol

C4H10O2

HCID8764

Benzenamine, 4-phenoxy-

C12H11NO

HCID19660

Carbonate

CO3-2

HCID9944116

未命名化合物

PRODUCTS

生成物

结构：COc1cc2cc3ncc(C#N)c(Nc4ccc(Oc5ccccc5)cc4)c3cc2cc1OC

HCID10225656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e94c4649ecfc46d3911d208f27577a04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:49][CH2:50][O:51][CH2:52][CH2:53][OH:54].[Cl:1][c:2]1[c:3]([C:20]#[N:21])[cH:4][n:5][c:6]2[cH:7][c:8]3[c:9]([cH:10][c:11]12)[cH:12][c:13]([O:18][CH3:19])[c:14]([O:16][CH3:17])[cH:15]3.[ClH:36].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[O:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][c:32]([NH2:33])[cH:34][cH:35]1.[OH2:55].[n:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[c:2]1([NH:33][c:32]2[cH:31][cH:30][c:29]([O:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:35][cH:34]2)[c:3]([C:20]#[N:21])[cH:4][n:5][c:6]2[cH:7][c:8]3[c:9]([cH:10][c:11]12)[cH:12][c:13]([O:18][CH3:19])[c:14]([O:16][CH3:17])[cH:15]3