HRID113397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：CNCCCN1CN(c2ccccc2)C2(CCN(CCC3CCC4CC3C4(C)C)CC2)C1=O

HCID11236337

未命名化合物

HCID22135564

tert-Butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate

C11H19NO3

PRODUCTS

生成物

结构：CN(CCCN1CN(c2ccccc2)C2(CCN(CCC3CCC4CC3C4(C)C)CC2)C1=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1

HCID58906460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b84f35f27024f2384c081ac6282e1b7
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

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