HRID134145

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+

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

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

HCID57203845

未命名化合物

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(O)C(Oc4ccc(Cl)cc4)C3)C(C)C(O)CC1=O)C(C)CC2OC

HCID57192190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-414808dd1c534295a75f7ddd8fe64ecf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:124]([O-:125])(=[O:126])[CH3:127].[C:129]([O-:130])(=[O:131])[CH3:132].[C:56]([OH:57])(=[O:58])[CH3:59].[C:60]([OH:61])(=[O:62])[CH3:63].[C:90](=[O:91])([OH:92])[OH:93].[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:55])[CH2:5][CH:6]([OH:54])[CH:7]([CH3:53])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([OH:51])[CH:47]([OH:50])[CH2:48][CH2:49]2)[CH3:52])[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.[CH3:86][C:87](=[O:88])[OH:89].[Cl:116][CH2:117][Cl:118].[Cl:64][c:65]1[cH:66][cH:67][c:68]([Bi:71]([c:72]2[cH:73][cH:74][c:75]([Cl:76])[cH:77][cH:78]2)[c:79]2[cH:80][cH:81][c:82]([Cl:83])[cH:84][cH:85]2)[cH:69][cH:70]1.[Cl:94][c:95]1[cH:96][cH:97][c:98]([Bi:99]([c:100]2[cH:101][cH:102][c:103]([Cl:104])[cH:105][cH:106]2)[c:107]2[cH:108][cH:109][c:110]([Cl:111])[cH:112][cH:113]2)[cH:114][cH:115]1.[Cu+2:128].[Na+:123].[O-:119][C:120]([OH:121])=[O:122]>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:55])[CH2:5][CH:6]([OH:54])[CH:7]([CH3:53])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:51][c:68]3[cH:67][cH:66][c:65]([Cl:64])[cH:70][cH:69]3)[CH:47]([OH:50])[CH2:48][CH2:49]2)[CH3:52])[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