HRID2349420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

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：CC(C)(CO[Si](C)(C)C(C)(C)C)Cn1cc(SC2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Br)ccc2c1=O

HCID67390931

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)CO[Si](C)(C)C(C)(C)C)cc(SC3CCN(C(=O)OC(C)(C)C)CC3)c2c1

HCID67391538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03ad409f5d24437b8558a3f31925a32c
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

[Br:1][c:2]1[cH:3][c:4]2[c:5]([S:26][CH:27]3[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]3)[cH:6][n:7]([CH2:13][C:14]([CH2:15][O:16][Si:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[CH3:23])([CH3:24])[CH3:25])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[C:63](=[O:64])([O-:65])[O-:66].[CH:40]1([NH:43][C:44]([c:45]2[cH:46][c:47]([F:61])[c:48]([CH3:60])[c:49]([B:51]3[O:52][C:53]([CH3:54])([CH3:55])[C:56]([CH3:57])([CH3:58])[O:59]3)[cH:50]2)=[O:62])[CH2:41][CH2:42]1.[K+:67].[K+:68].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73]>>[c:2]1(-[c:49]2[c:48]([CH3:60])[c:47]([F:61])[cH:46][c:45]([C:44]([NH:43][CH:40]3[CH2:41][CH2:42]3)=[O:62])[cH:50]2)[cH:3][c:4]2[c:5]([S:26][CH:27]3[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]3)[cH:6][n:7]([CH2:13][C:14]([CH2:15][O:16][Si:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[CH3:23])([CH3:24])[CH3:25])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1