HRID164159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：COc1ccc(Br)c2c1CN(C(=O)OC(C)(C)C)C(C(O)C(N)Cc1cc(F)cc(F)c1)C2

HCID178488287

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Br)c2c1CN(C(=O)OC(C)(C)C)C(C(O)C(Cc1cc(F)cc(F)c1)NC(C)=O)C2

HCID178488285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c384f190bf4140b38968996678500be5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][C:42](=[O:43])[O:44][C:45](=[O:46])[CH3:47].[NH2:1][CH:2]([CH:3]([OH:4])[CH:5]1[N:6]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:7][c:8]2[c:9]([O:16][CH3:17])[cH:10][cH:11][c:12]([Br:15])[c:13]2[CH2:14]1)[CH2:25][c:26]1[cH:27][c:28]([F:33])[cH:29][c:30]([F:32])[cH:31]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[NH:1]([CH:2]([CH:3]([OH:4])[CH:5]1[N:6]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:7][c:8]2[c:9]([O:16][CH3:17])[cH:10][cH:11][c:12]([Br:15])[c:13]2[CH2:14]1)[CH2:25][c:26]1[cH:27][c:28]([F:33])[cH:29][c:30]([F:32])[cH:31]1)[C:42]([CH3:41])=[O:43]