HRID94477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6775

2,3-Dichloro-5,6-dicyano-p-benzoquinone

C8Cl2N2O2

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1ccc(COc2ncccc2-c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cc1

HCID59351184

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(Oc2nccnc2-c2ccc[nH]c2=O)cc1)c1nc2ccccc2[nH]1

HCID59351267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-320c8a2895fd4206804afbbe4f745223
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Cl:41][C:42]1=[C:53]([Cl:54])[C:51](=[O:52])[C:48]([C:49]#[N:50])=[C:45]([C:46]#[N:47])[C:43]1=[O:44].[Cl:61][CH2:62][Cl:63].[Na+:69].[O-:65][C:66]([OH:67])=[O:68].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[OH2:64].[nH:1]1[c:2]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[n:20][cH:21][cH:22][n:23][c:24]3-[c:25]3[c:26]([O:31][CH2:32][c:33]4[cH:34][cH:35][c:36]([O:37][CH3:38])[cH:39][cH:40]4)[n:27][cH:28][cH:29][cH:30]3)[cH:16][cH:17]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[nH:1]1[c:2]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[n:20][cH:21][cH:22][n:23][c:24]3-[c:25]3[c:26](=[O:31])[nH:27][cH:28][cH:29][cH:30]3)[cH:16][cH:17]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2