HRID1564764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5948

Tributylstannane

C12H28Sn

HCID6212

Chloroform

CHCl3

HCID6342

Acetonitrile

C2H3N

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID79846

Methyl chloroglyoxylate

C3H3ClO3

结构：Cc1ccc(Sc2ccccc2C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID21864915

1,1-Dimethylethyl 4-hydroxy-4-[2-[(4-methylphenyl)thio]phenyl]-1-piperidinecarboxylate

C23H29NO3S

PRODUCTS

生成物

结构：Cc1ccc(Sc2ccccc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID68547395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b8b6a54c44f404f969ec7df98679a81
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:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][C:18]([OH:21])([c:22]2[c:23]([S:28][c:29]3[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]3)[cH:24][cH:25][cH:26][cH:27]2)[CH2:19][CH2:20]1.[CH3:36][CH2:37][CH2:38][CH2:39][SnH:40]([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48].[CH3:61][N:62]([CH3:63])[c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1.[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH3:80][C:81]#[N:82].[Cl:1][C:2](=[O:3])[C:4]([O:5][CH3:6])=[O:7].[Cl:76][CH:77]([Cl:78])[Cl:79].[N:49]#[C:50][C:51]([N:52]=[N:53][C:54]([C:55]#[N:56])([CH3:57])[CH3:58])([CH3:59])[CH3:60]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][CH:18]([c:22]2[c:23]([S:28][c:29]3[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]3)[cH:24][cH:25][cH:26][cH:27]2)[CH2:19][CH2:20]1