HRID1121474

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：CC(C)(C)[Si](C)(C)OCC1(COS(C)(=O)=O)CC1

HCID59000927

Cyclopropanemethanol, 1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, 1-methanesulfonate

C12H26O4SSi

结构：CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2c[nH]c(=O)c3ccc(Br)cc23)CC1

HCID67391050

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cn(CC3(CO[Si](C)(C)C(C)(C)C)CC3)c(=O)c3ccc(Br)cc23)CC1

HCID67390814

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8dda245d151a4958836b24c901ea7583
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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