HRID694960

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7892

2-Methylpentane

C6H14

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID79965

Benzenethiol, 2,5-dichloro-

C6H4Cl2S

HCID70144327

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCC(Sc1cc(Cl)ccc1Cl)c1nccs1

HCID178453583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47c758ec5a174a48a029a97f60032dd2
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

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