HRID1572045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23153088

未命名化合物

结构：CC(C)(C)OC(=O)NC1CCN(C(=O)C=Cc2cnccc2Oc2ccc(N)cc2F)CC1

HCID66917613

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(C(=O)C=Cc2cnccc2Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)CC1

HCID72578595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55433ae658254d6a8bcda2d21844d4ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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