HRID2162757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cn2)cc1

HCID66683387

未命名化合物

结构：COCC(C)Oc1cc(O)cc(-c2ccc(C3=NCC(C)O3)[nH]2)c1

HCID178495517

未命名化合物

PRODUCTS

生成物

结构：COCC(C)Oc1cc(Oc2ccc(S(=O)(=O)N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)nc2)cc(-c2ccc(C3=NCC(C)O3)[nH]2)c1

HCID178495487

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3044cc528a24f878bdd613569f5a51c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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