HRID666063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID5948

Tributyltin

C12H28Sn

HCID6212

Chloroform

CHCl3

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：CCN(C)N1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S

HCID54304106

未命名化合物

PRODUCTS

生成物

结构：CCN(C)N1CSC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O

HCID53829192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c1b63163b914948a32cc28b38a81276
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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