HRID2133188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID6344

Dichloromethane

CH2Cl2

HCID8900

Heptane

C7H16

HCID68983

Trimethyl phosphine

C3H9P

HCID73042

1,1′-(1,2-Diazenediyl)bis[1-(1-piperidinyl)methanone]

C12H20N4O2

HCID4399784

未命名化合物

结构：OCc1ccc(-c2cccc(CN3CCCc4ccc(C(F)(F)F)cc43)c2)cc1

HCID11603644

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CSCc1ccc(-c2cccc(CN3CCCc4ccc(C(F)(F)F)cc43)c2)cc1)NC(=O)OC(C)(C)C

HCID68819852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a637eff0421b4de8810ee78950ff3296
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

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