HRID2341698

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(=O)Nc1ccc(NC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

HCID67516983

未命名化合物

结构：Cc1ccc(-c2ccc3c(N4CCOCC4)nc(Cl)nc3c2)o1

HCID86665778

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5ccc(C)o5)cc4n3)cc2)cc1

HCID57335185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e53806bb0ab45f6b0844c8d82ec31cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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