HRID291063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID10387

Benzyl chloroformate

C8H7ClO2

结构：CCc1cccc(CNCC(O)C(Cc2cc(F)cc(F)c2)NC(=O)OC(C)(C)C)c1

HCID57487425

未命名化合物

PRODUCTS

生成物

结构：CCc1cccc(CN(CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)c1

HCID68662766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-549a88425baf436eb65e15ccde3fa4b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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