HRID157764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6586

Methyl chlorocarbonate

C2H3ClO2

结构：CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCNCC2)n3C(C)C)CC1

HCID68565610

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)CC4)ccc3n2C(C)C)CC1

HCID24959291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82e9868c0aff4d0cb17450155870dc93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH:2]([CH3:3])([CH3:4])[n:5]1[c:6]([C:24](=[O:25])[N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:7][c:8]2[cH:9][c:10]([O:14][CH:15]3[CH2:16][CH2:17][N:18]([CH:21]([CH3:22])[CH3:23])[CH2:19][CH2:20]3)[cH:11][cH:12][c:13]12.[Cl:32][C:33](=[O:34])[O:35][CH3:36].[ClH:1]>>[CH:2]([CH3:3])([CH3:4])[n:5]1[c:6]([C:24](=[O:25])[N:26]2[CH2:27][CH2:28][N:29]([C:33](=[O:34])[O:35][CH3:36])[CH2:30][CH2:31]2)[cH:7][c:8]2[cH:9][c:10]([O:14][CH:15]3[CH2:16][CH2:17][N:18]([CH:21]([CH3:22])[CH3:23])[CH2:19][CH2:20]3)[cH:11][cH:12][c:13]12