HRID2350383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID231905

4-methoxy BZP

C12H18N2O

HCID268473

未命名化合物

结构：CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID13455628

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1

HCID57044275

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0eaf44f5f94462db86d5776b030e6c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[NH:9][CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[C:15](=[O:16])[OH:17].[CH3:18][O:19][c:20]1[cH:21][cH:22][c:23]([CH2:26][N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:24][cH:25]1.[OH2:1].[c:33]1([CH:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[N:41]2[CH2:42][CH2:43][N:44]([C:45]([CH:46]([NH:47][C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])[CH2:55][CH:56]([CH3:57])[CH3:58])=[O:59])[CH2:60][CH2:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[NH:9][CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[C:15](=[O:17])[N:30]1[CH2:29][CH2:28][N:27]([CH2:26][c:23]2[cH:22][cH:21][c:20]([O:19][CH3:18])[cH:25][cH:24]2)[CH2:32][CH2:31]1