HRID148591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

结构：Cc1c(F)cc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1

HCID21914563

未命名化合物

结构：CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cn(CC(C)(C)COC(=O)C(C)(C)C)c(=O)c2ccc(Br)cc12

HCID68590084

未命名化合物

PRODUCTS

生成物

结构：Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC(C)(C)COC(=O)C(C)(C)C)cc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c2c1

HCID178429752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bc544e977aa4bb6a2ee3f94e42de346
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

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