HRID108669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10442454

tert-Butyl methyl(3-oxopropyl)carbamate

C9H17NO3

结构：CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ccc2c(c1)CCNC2

HCID66671813

未命名化合物

PRODUCTS

生成物

结构：CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ccc2c(c1)CCN(CCCN(C)C(=O)OC(C)(C)C)C2

HCID66671365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3a4c882601d4eaaa5fa7bda08692e8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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