HRID1567730

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5948

Tributyltin

C12H28Sn

HCID6342

Acetonitrile

C2H3N

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID79846

Methyl chloroglyoxylate

C3H3ClO3

结构：CC(C)(C)OC(=O)N1CCC(O)(c2cc(C(F)(F)F)ccc2Sc2ccc(Cl)cc2)CC1

HCID68684690

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2cc(C(F)(F)F)ccc2Sc2ccc(Cl)cc2)CC1

HCID68682105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3fda6b9cc82434fba012f55babb642f
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:53]([C:54]([CH3:55])([CH3:56])[N:57]=[N:58][C:59]([CH3:60])([CH3:61])[C:62]#[N:63])#[N:64].[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:32][c:33]3[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]3)[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]2)[CH2:19][CH2:20]1.[CH2:40]([SnH:41]([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[CH3:1][O:2][C:3](=[O:4])[C:5]([Cl:6])=[O:7].[CH3:65][N:66]([CH3:67])[c:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1.[CH3:74][C:75]#[N:76].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82]>>[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:32][c:33]3[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]3)[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]2)[CH2:19][CH2:20]1