HRID2348922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID7918

Acetic anhydride

C4H6O3

结构：Cc1c(C(O)C2CCc3cc4ccccc4n3C2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID11756993

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC(c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C)C1CCc2cc3ccccc3n2C1=O

HCID10008392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-809f81a03a1744eab925d50bd556a97f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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