HRID173107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID16748340

3-Amino-5-hydroxyquinoxalin-2(1H)-one

C8H7N3O2

结构：CC(C)CN1CCCCC1C(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(Cl)ncn1

HCID58691369

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN1CCCCC1C(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc23)ncn1

HCID58691431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f79168bd97c450e943bdd243481538a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:44](=[O:45])([O-:46])[O-:47].[Cl:14][c:15]1[cH:16][c:17](-[c:21]2[c:22]([NH:31][C:32](=[O:33])[CH:34]3[N:35]([CH2:40][CH:41]([CH3:42])[CH3:43])[CH2:36][CH2:37][CH2:38][CH2:39]3)[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]2)[n:18][cH:19][n:20]1.[Cs+:48].[Cs+:49].[NH2:1][c:2]1[c:3](=[O:13])[nH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([OH:12])[c:10]2[n:11]1.[Na+:59].[O-:55][C:56]([OH:57])=[O:58].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[NH2:1][c:2]1[c:3](=[O:13])[nH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([O:12][c:15]3[cH:16][c:17](-[c:21]4[c:22]([NH:31][C:32](=[O:33])[CH:34]5[N:35]([CH2:40][CH:41]([CH3:42])[CH3:43])[CH2:36][CH2:37][CH2:38][CH2:39]5)[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]4)[n:18][cH:19][n:20]3)[c:10]2[n:11]1