HRID95036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID137636

Cyclohexane, (bromomethyl)-

C7H13Br

结构：Cc1nc(OCC(=O)N(C)C2CCNCC2)nc(C)c1NC(=O)OC(C)(C)C

HCID59336171

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(OCC(=O)N(C)C2CCN(CC3CCCCC3)CC2)nc(C)c1NC(=O)OC(C)(C)C

HCID59336176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4917cca38f4241f19304e7c34d8e74ac
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

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