HRID960200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID118889

Benzenamine, 3-iodo-4-methyl- (9CI)

C7H8IN

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1

HCID2795508

4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid

C16H22N2O4

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(C(C)(C)C)c3)cc2)CC1

HCID59318017

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1I

HCID59317965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f2b1258918d4b10b0734016d44f7090
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:10]([CH3:11])([CH3:12])([CH3:13])[O:14][C:15](=[O:16])[N:17]1[CH2:18][CH2:19][N:20]([c:23]2[cH:24][cH:25][c:26]([C:29](=[O:30])[OH:31])[cH:27][cH:28]2)[CH2:21][CH2:22]1.[C:32]([O:33][C:34]([N:35]1[CH2:36][CH2:37][N:38]([c:39]2[cH:40][cH:41][c:42]([C:43](=[O:44])[NH:45][c:46]3[cH:47][cH:48][cH:49][c:50]([C:51]([CH3:52])([CH3:53])[CH3:54])[cH:55]3)[cH:56][cH:57]2)[CH2:58][CH2:59]1)=[O:60])([CH3:61])([CH3:62])[CH3:63].[I:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][c:8]1[CH3:9]>>[I:1][c:2]1[cH:3][c:4]([NH:5][C:29]([c:26]2[cH:25][cH:24][c:23]([N:20]3[CH2:19][CH2:18][N:17]([C:15]([O:14][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:16])[CH2:22][CH2:21]3)[cH:28][cH:27]2)=[O:30])[cH:6][cH:7][c:8]1[CH3:9]