HRID2126757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID5948

Tributyltin

C12H28Sn

HCID6547

Azobisisobutyronitrile

C8H12N4

结构：CC(C)=C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1Cl

HCID20534636

未命名化合物

结构：COCC(C)=C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1Cl

HCID86736893

未命名化合物

PRODUCTS

生成物

结构：COCC(C)=C(C(=O)OC(c1ccccc1)c1ccccc1)N1CC(NC(=O)COc2ccccc2)C1=O

HCID53866326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f796bccfbbb143ea94282df0c35078cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:77]([SnH:78]([CH2:79][CH2:80][CH2:81][CH3:82])[CH2:83][CH2:84][CH2:85][CH3:86])[CH2:87][CH2:88][CH3:89].[CH3:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[N:90]#[C:91][C:92]([N:93]=[N:94][C:95]([C:96]#[N:97])([CH3:98])[CH3:99])([CH3:100])[CH3:101].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:39])[N:14]([C:17]([C:18](=[O:19])[O:20][CH:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)=[C:34]([CH2:35][O:36][CH3:37])[CH3:38])[CH:15]1[Cl:16].[O:40]([CH2:41][C:42]([NH:43][CH:44]1[CH:45]([Cl:46])[N:47]([C:48](=[C:49]([CH3:50])[CH3:51])[C:52]([O:53][CH:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)=[O:67])[C:68]1=[O:69])=[O:70])[c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:39])[N:14]([C:17]([C:18](=[O:19])[O:20][CH:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)=[C:34]([CH2:35][O:36][CH3:37])[CH3:38])[CH2:15]1