HRID676451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8900

Heptane

C7H16

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID69006387

未命名化合物

HCID69007907

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CCCN1CCOc1ccc(Br)cc1Sc1cccc(F)c1

HCID69006961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da9816d88e994151b7c192158d7396c9
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

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