HRID186373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID2724995

未命名化合物

结构：CCCCCC(OCc1ccc(OC)cc1)c1ccc(C2C(CCCc3ccc(C(=O)OC)s3)CCC2(O)C(C)(C)O[SiH2]C(C)(C)C)cc1

HCID178444975

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(OCc1ccc(OC)cc1)c1ccc(C2=C(C(C)(C)O[SiH2]C(C)(C)C)CCC2CCCc2ccc(C(=O)OC)s2)cc1

HCID178444976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ee55f674d4d443685400cd510ba57ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:50]([N+:51]([CH2:52][CH3:53])([CH2:54][CH3:55])[S:56]([NH:57][C:58](=[O:59])[O:60][CH3:61])(=[O:62])=[O:63])[CH3:64].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([CH2:10][CH2:11][CH2:12][CH:13]2[CH:14]([c:28]3[cH:29][cH:30][c:31]([CH:34]([CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[O:40][CH2:41][c:42]4[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]4)[cH:32][cH:33]3)[C:15]([OH:18])([C:19]([O:20][SiH2:21][C:22]([CH3:23])([CH3:24])[CH3:25])([CH3:26])[CH3:27])[CH2:16][CH2:17]2)[cH:8][cH:9]1.[cH:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([CH2:10][CH2:11][CH2:12][CH:13]2[C:14]([c:28]3[cH:29][cH:30][c:31]([CH:34]([CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[O:40][CH2:41][c:42]4[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]4)[cH:32][cH:33]3)=[C:15]([C:19]([O:20][SiH2:21][C:22]([CH3:23])([CH3:24])[CH3:25])([CH3:26])[CH3:27])[CH2:16][CH2:17]2)[cH:8][cH:9]1