HRID939006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：O=Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1

HCID58236579

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4nccc(Oc5ccc(NC(=O)NC6CC6)cc5F)c4s3)nc2)CC1

HCID67441338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2c0ca58f37b4ab191a05ee5bf310930
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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