HRID1228039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

HCID2776064

Benzyl 3-bromopropyl ether

C10H13BrO

结构：CC(C)(C)C(=O)OCC1OC(Oc2n[nH]c3nccc(CCc4ccc(OC(=O)C(C)(C)C)cc4)c23)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C

HCID178447516

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)OCC1OC(Oc2nn(CCCOCc3ccccc3)c3nccc(CCc4ccc(OC(=O)C(C)(C)C)cc4)c23)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C

HCID178447494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec8e30e7ee1e42e9b700d06eba4c4681
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:67][CH2:68][CH2:69][CH2:70][O:71][CH2:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH:8]1[CH:9]([O:36][c:37]2[n:38][nH:39][c:40]3[n:41][cH:42][cH:43][c:44]([CH2:46][CH2:47][c:48]4[cH:49][cH:50][c:51]([O:54][C:55]([C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[cH:52][cH:53]4)[c:45]23)[O:10][CH:11]([CH2:28][O:29][C:30]([C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:12]([O:21][C:22]([C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH:13]1[O:14][C:15]([C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20].[C:61](=[O:62])([O-:63])[O-:64].[CH3:81][C:82](=[O:83])[CH3:84].[Cs+:65].[Cs+:66].[I-:80].[Na+:79]>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH:8]1[CH:9]([O:36][c:37]2[n:38][n:39]([CH2:68][CH2:69][CH2:70][O:71][CH2:72][c:73]3[cH:74][cH:75][cH:76][cH:77][cH:78]3)[c:40]3[n:41][cH:42][cH:43][c:44]([CH2:46][CH2:47][c:48]4[cH:49][cH:50][c:51]([O:54][C:55]([C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[cH:52][cH:53]4)[c:45]23)[O:10][CH:11]([CH2:28][O:29][C:30]([C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:12]([O:21][C:22]([C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH:13]1[O:14][C:15]([C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20]