HRID1544442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID8071

未命名化合物

HCID166653

Hydride

H-

HCID16686348

未命名化合物

结构：CC(C)(C)[Si](C)(C)OCCC1(C#N)CCN(c2nc3ccc(C(F)(F)F)cc3s2)CC1

HCID57966452

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OCCC1(C=O)CCN(c2nc3ccc(C(F)(F)F)cc3s2)CC1

HCID57966368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f29a36d216a94dd8b71d04efa0ad0fc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][C:9]1([C:28]#[N:29])[CH2:10][CH2:11][N:12]([c:15]2[s:16][c:17]3[c:18]([n:19]2)[cH:20][cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[CH2:13][CH2:14]1)([CH3:30])[CH3:31].[CH2:33]([Al+:34][CH2:35][CH:36]([CH3:37])[CH3:38])[CH:39]([CH3:40])[CH3:41].[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[H-:32].[OH:42][C:43]([CH2:44][C:45]([C:46](=[O:47])[OH:48])([CH2:49][C:50](=[O:51])[OH:52])[OH:53])=[O:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][C:9]1([CH:28]=[O:42])[CH2:10][CH2:11][N:12]([c:15]2[s:16][c:17]3[c:18]([n:19]2)[cH:20][cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[CH2:13][CH2:14]1)([CH3:30])[CH3:31]