HRID2328584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID176

Acetic Acid

C2H4O2

3 次

HCID767

Carbonic Acid

CH2O3

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

结构：CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

HCID2241

未命名化合物

HCID6344

Dichloromethane

CH2Cl2

HCID27099

Copper(2+)

Cu+2

结构：Clc1cc[c]([Bi]([c]2ccc(Cl)cc2)[c]2ccc(Cl)cc2)cc1

HCID279137

tris(4-chlorophenyl)bismuthane

C18H12BiCl3

2 次

PRODUCTS

生成物

结构：CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(Oc4ccc(Cl)cc4)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

HCID57028688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efc01bad37744aeb8cd96b6aff1d4bb9
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

[C:125]([O-:126])(=[O:127])[CH3:128].[C:130]([O-:131])(=[O:132])[CH3:133].[C:57]([OH:58])(=[O:59])[CH3:60].[C:61]([OH:62])(=[O:63])[CH3:64].[C:91](=[O:92])([OH:93])[OH:94].[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:56])[CH2:5][CH:6]([OH:55])[CH:7]([CH3:54])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:51][CH3:52])[CH:47]([OH:50])[CH2:48][CH2:49]2)[CH3:53])[O:9][C:10](=[O:41])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:40])[C:18](=[O:39])[C:19]2([OH:38])[CH:20]([CH3:37])[CH2:21][CH:22]([O:35][CH3:36])[CH:23]([CH:24]([O:32][CH3:33])[CH2:25][CH:26]([CH3:31])[CH2:27][C:28]([CH3:30])=[CH:29]1)[O:34]2.[CH3:87][C:88](=[O:89])[OH:90].[Cl:117][CH2:118][Cl:119].[Cl:65][c:66]1[cH:67][cH:68][c:69]([Bi:72]([c:73]2[cH:74][cH:75][c:76]([Cl:77])[cH:78][cH:79]2)[c:80]2[cH:81][cH:82][c:83]([Cl:84])[cH:85][cH:86]2)[cH:70][cH:71]1.[Cl:95][c:96]1[cH:97][cH:98][c:99]([Bi:100]([c:101]2[cH:102][cH:103][c:104]([Cl:105])[cH:106][cH:107]2)[c:108]2[cH:109][cH:110][c:111]([Cl:112])[cH:113][cH:114]2)[cH:115][cH:116]1.[Cu+2:129].[Na+:124].[O-:120][C:121]([OH:122])=[O:123]>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:56])[CH2:5][CH:6]([OH:55])[CH:7]([CH3:54])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:51][CH3:52])[CH:47]([O:50][c:69]3[cH:68][cH:67][c:66]([Cl:65])[cH:71][cH:70]3)[CH2:48][CH2:49]2)[CH3:53])[O:9][C:10](=[O:41])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:40])[C:18](=[O:39])[C:19]2([OH:38])[CH:20]([CH3:37])[CH2:21][CH:22]([O:35][CH3:36])[CH:23]([CH:24]([O:32][CH3:33])[CH2:25][CH:26]([CH3:31])[CH2:27][C:28]([CH3:30])=[CH:29]1)[O:34]2