HRID138039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6364

Isopropyl mercaptan

C3H8S

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID23938

Palladium

2 次

HCID42300

Benzyl alcohol, m-iodo-

C7H7IO

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

PRODUCTS

生成物

HCID66348368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de75c5fcca87413194a1b14a3e7a7a0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:14][N:15]1[CH2:16][CH2:17][CH2:18][C:19]1=[O:20].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH:10]([CH3:11])([CH3:12])[SH:13].[I:1][c:2]1[cH:3][c:4]([CH2:5][OH:6])[cH:7][cH:8][cH:9]1.[O:30]=[C:31]([CH:32]=[CH:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[Pd:28].[Pd:29]>>[c:2]1([S:13][CH:10]([CH3:11])[CH3:12])[cH:3][c:4]([CH2:5][OH:6])[cH:7][cH:8][cH:9]1