HRID2344804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID5948

Tributyltin

C12H28Sn

结构：CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(N=[N+]=[N-])C(OC)C3)C(C)C=CC1=O)C(C)CC2OC

HCID86746803

未命名化合物

PRODUCTS

生成物

HCID86746805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba967528ac164f548286361904946f03
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

[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:57])[CH:5]=[CH:6][CH:7]([CH3:56])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:53][CH3:54])[CH:47]([N:50]=[N+:51]=[N-:52])[CH2:48][CH2:49]2)[CH3:55])[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.[CH2:62]([SnH:63]([CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH2:70][CH3:71])[CH2:72][CH2:73][CH3:74].[CH3:58][C:59](=[O:60])[OH:61].[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:57])[CH2:5][CH2:6][CH:7]([CH3:56])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:53][CH3:54])[CH:47]([N:50]=[N+:51]=[N-:52])[CH2:48][CH2:49]2)[CH3:55])[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