HRID95366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID104967

Cesium(1+)

Cs+

2 次

HCID22400412

(1-Methoxyethyl)(trimethyl)silane

C6H16OSi

结构：Cc1ccc(F)cc1C1CC(=O)NC(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12

HCID76568090

未命名化合物

PRODUCTS

生成物

HCID22400412

(1-Methoxyethyl)(trimethyl)silane

C6H16OSi

结构：Cc1ccc(F)cc1C1CC(=O)N(CC(=O)OC(C)(C)C)C(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12

HCID77581376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e95253b57aef45b89a0419c33bb23732
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46]([CH2:47][Br:48])=[O:49].[C:50](=[O:51])([O-:52])[O-:53].[CH3:1][O:2][CH:3]([CH3:4])[Si:5]([CH3:6])([CH3:7])[CH3:8].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl-:56].[Cl:9][c:10]1[cH:11][cH:12][c:13]2[c:17]([cH:18]1)[NH:16][C:15](=[O:19])[C:14]21[CH:20]([c:34]2[cH:35][c:36]([Cl:40])[cH:37][cH:38][cH:39]2)[NH:21][C:22](=[O:33])[CH2:23][CH:24]1[c:25]1[c:26]([CH3:32])[cH:27][cH:28][c:29]([F:31])[cH:30]1.[Cs+:54].[Cs+:55].[NH4+:57]>>[CH3:1][O:2][CH:3]([CH3:4])[Si:5]([CH3:6])([CH3:7])[CH3:8].[Cl:9][c:10]1[cH:11][cH:12][c:13]2[c:17]([cH:18]1)[NH:16][C:15](=[O:19])[C:14]21[CH:20]([c:34]2[cH:35][c:36]([Cl:40])[cH:37][cH:38][cH:39]2)[N:21]([CH2:47][C:46]([O:45][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:49])[C:22](=[O:33])[CH2:23][CH:24]1[c:25]1[c:26]([CH3:32])[cH:27][cH:28][c:29]([F:31])[cH:30]1