HRID202973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID53419526

未命名化合物

结构：CCC(CC)(c1ccc(C#CC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

HCID57708976

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(C#CC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)nc2)c(C)c1

HCID57709210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62e230c4969a483b85c7e99b8ef54020
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

[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:24])[c:9]([C:12]#[C:13][C:14]2([O:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:10][cH:11]1)[c:25]1[cH:26][c:27]([CH3:40])[c:28]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[cH:29][cH:30]1.[CH3:41][O:42][C:43]([CH2:44][c:45]1[n:46][cH:47][c:48]([Br:51])[cH:49][cH:50]1)=[O:52].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[Cl-:61].[K+:58].[K+:59].[K+:60].[NH4+:62].[P:53]([O-:54])([O-:55])([O-:56])=[O:57]>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:24])[c:9]([C:12]#[C:13][C:14]2([O:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:10][cH:11]1)[c:25]1[cH:26][c:27]([CH3:40])[c:28](-[c:48]2[cH:47][n:46][c:45]([CH2:44][C:43]([O:42][CH3:41])=[O:52])[cH:50][cH:49]2)[cH:29][cH:30]1