HRID197941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2758810

ethyl 6-bromopyridine-2-carboxylate

C8H8BrNO2

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID67019752

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(-c2ccc(C(C)N3CCC(CC(C)(C)O)(c4ccccc4)OC3=O)cc2)n1

HCID76800650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b30f5ef8a8848c9807855a4d73ccf41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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