HRID188457

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

HCID8083

Morpholine

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

结构：COCCCNc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)C1CC(C(=O)O)CN(C(=O)OC(C)(C)C)C1

HCID68431359

未命名化合物

PRODUCTS

生成物

结构：COCCCNc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID178495273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60c7973482004113bb15c8a174e4803c
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]1[CH2:9][CH:10]([C:37](=[O:38])[OH:39])[CH2:11][CH:12]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[c:21]2[c:22]([NH:31][CH2:32][CH2:33][CH2:34][O:35][CH3:36])[n:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[n:25][cH:26]2)[CH2:13]1.[C:60](=[O:61])([O-:62])[OH:63].[CH2:40]1[CH2:41][O:42][CH2:43][CH2:44][NH:45]1.[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[Na+:64].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:37](=[O:38])[N:45]2[CH2:40][CH2:41][O:42][CH2:43][CH2:44]2)[CH2:11][CH:12]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[c:21]2[c:22]([NH:31][CH2:32][CH2:33][CH2:34][O:35][CH3:36])[n:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[n:25][cH:26]2)[CH2:13]1