HRID1218726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID16249

2,2-Dimethyl-1,3-dioxane-4,6-dione

C6H8O4

结构：O=C(O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCCC1

HCID9910335

未命名化合物

PRODUCTS

生成物

结构：CC(=O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCCC1

HCID22629231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c204e5b8c3834fcaa77401438c8237f2
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

[C:1](=[O:2])([OH:3])[CH2:4][C:5]1=[C:6]([n:11]2[n:12][c:13](-[c:18]3[c:19](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[n:20][n:21]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[cH:14][cH:15][c:16]2=[O:17])[CH2:7][CH2:8][CH2:9][CH2:10]1.[CH2:43]1[CH2:44][CH2:45][CH:46]([N:47]=[C:48]=[N:49][CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[CH2:56][CH2:57]1.[CH3:33][C:34]1([CH3:35])[O:36][C:37](=[O:38])[CH2:39][C:40](=[O:41])[O:42]1.[CH3:61][N:62]([CH3:63])[c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1.[CH3:70][C:71](=[O:72])[OH:73].[Cl:58][CH2:59][Cl:60].[OH2:74]>>[C:1](=[O:2])([CH2:4][C:5]1=[C:6]([n:11]2[n:12][c:13](-[c:18]3[c:19](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[n:20][n:21]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[cH:14][cH:15][c:16]2=[O:17])[CH2:7][CH2:8][CH2:9][CH2:10]1)[CH3:33]