HRID188071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2760952

N-(tert-Butoxycarbonyl)-N-methyl-beta-alanine

C9H17NO4

结构：CNc1ccc(N(CCCCCC(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)C(=O)OCc2ccccc2)cc1

HCID66671650

未命名化合物

PRODUCTS

生成物

结构：CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCN(C(=O)OCc1ccccc1)c1ccc(N(C)C(=O)CCN(C)C(=O)OC(C)(C)C)cc1

HCID66793891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c80e517ef594e7cb420c0df036f987b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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