HRID1217719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID105153

Rubidium, ion (Rb1+)

Rb+

2 次

HCID14459693

未命名化合物

结构：C=C(C)COC(=O)N=C(N)c1ccc(NC(c2nn(-c3ncccn3)c(=O)[nH]2)c2cc(OC)cc(OCCOC(C)=O)c2F)cc1

HCID178454241

未命名化合物

PRODUCTS

生成物

结构：C=C(C)COC(=O)N=C(N)c1ccc(NC(c2nc(OCOC(=O)C(C)(C)COC)n(-c3ncccn3)n2)c2cc(OC)cc(OCCOC(C)=O)c2F)cc1

HCID68212865

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-596cdd27fbca4562918cbc1483780a17
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:58](=[O:59])([O-:60])[O-:61].[CH3:64][N:65]([CH3:66])[C:67](=[O:68])[CH3:69].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[Cl:47][CH2:48][O:49][C:50]([C:51]([CH2:52][O:53][CH3:54])([CH3:55])[CH3:56])=[O:57].[NH2:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][CH:10]([c:11]2[c:12]([F:26])[c:13]([O:14][CH2:15][CH2:16][O:17][C:18]([CH3:19])=[O:20])[cH:21][c:22]([O:24][CH3:25])[cH:23]2)[c:27]2[n:28][n:29](-[c:33]3[n:34][cH:35][cH:36][cH:37][n:38]3)[c:30](=[O:32])[nH:31]2)[cH:7][cH:8]1)=[N:39][C:40](=[O:41])[O:42][CH2:43][C:44](=[CH2:45])[CH3:46].[OH2:70].[Rb+:62].[Rb+:63]>>[NH2:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][CH:10]([c:11]2[c:12]([F:26])[c:13]([O:14][CH2:15][CH2:16][O:17][C:18]([CH3:19])=[O:20])[cH:21][c:22]([O:24][CH3:25])[cH:23]2)[c:27]2[n:28][n:29](-[c:33]3[n:34][cH:35][cH:36][cH:37][n:38]3)[c:30]([O:32][CH2:48][O:49][C:50]([C:51]([CH2:52][O:53][CH3:54])([CH3:55])[CH3:56])=[O:57])[n:31]2)[cH:7][cH:8]1)=[N:39][C:40](=[O:41])[O:42][CH2:43][C:44](=[CH2:45])[CH3:46]