HRID2125721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6058

Cysteamine

C2H7NS

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCBr

HCID54396375

未命名化合物

PRODUCTS

生成物

结构：CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCSCCN

HCID53686948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57a07f0dbd7f4bd584e797c0ae15f30d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][CH2:2][CH:3]=[C:4]([CH2:5][CH2:6][CH:7]=[C:8]([CH2:9][CH2:10][CH:11]=[C:12]([CH2:13][CH2:14][CH:15]=[C:16]([CH2:17][CH2:18][CH:19]=[C:20]([CH2:21][CH2:22][CH:23]=[C:24]([CH2:25][CH2:26][CH:27]=[C:28]([CH2:29][CH2:30][CH:31]=[C:32]([CH2:33][CH2:34][CH:35]=[C:36]([CH2:37][CH2:38][CH:39]=[C:40]([CH3:41])[CH3:42])[CH3:43])[CH3:44])[CH3:45])[CH3:46])[CH3:47])[CH3:48])[CH3:49])[CH3:50])[CH3:51].[N:52]12[CH2:53][CH2:54][CH2:55][N:56]=[C:57]1[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]2.[NH2:63][CH2:64][CH2:65][SH:66].[cH:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[CH2:2]([CH:3]=[C:4]([CH2:5][CH2:6][CH:7]=[C:8]([CH2:9][CH2:10][CH:11]=[C:12]([CH2:13][CH2:14][CH:15]=[C:16]([CH2:17][CH2:18][CH:19]=[C:20]([CH2:21][CH2:22][CH:23]=[C:24]([CH2:25][CH2:26][CH:27]=[C:28]([CH2:29][CH2:30][CH:31]=[C:32]([CH2:33][CH2:34][CH:35]=[C:36]([CH2:37][CH2:38][CH:39]=[C:40]([CH3:41])[CH3:42])[CH3:43])[CH3:44])[CH3:45])[CH3:46])[CH3:47])[CH3:48])[CH3:49])[CH3:50])[CH3:51])[S:66][CH2:65][CH2:64][NH2:63]