HRID169105

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

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5142091

O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine

C5H11NO2

结构：CN(C)c1ccccc1CN1CCC(Nc2cnc(C=CC(=O)O)cn2)C1

HCID178482726

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccccc1CN1CCC(Nc2cnc(C=CC(=O)NOC3CCCCO3)cn2)C1

HCID178482725

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24ab314bd25b434abd9479c7b222a8b3
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

[CH3:1][N:2]([c:3]1[c:4]([CH2:5][N:6]2[CH2:7][CH:8]([NH:11][c:12]3[n:13][cH:14][c:15]([CH:18]=[CH:19][C:20](=[O:21])[OH:22])[n:16][cH:17]3)[CH2:9][CH2:10]2)[cH:23][cH:24][cH:25][cH:26]1)[CH3:27].[Na+:50].[O-:46][C:47]([OH:48])=[O:49].[O:28]1[CH:29]([O:34][NH2:35])[CH2:30][CH2:31][CH2:32][CH2:33]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[CH3:1][N:2]([c:3]1[c:4]([CH2:5][N:6]2[CH2:7][CH:8]([NH:11][c:12]3[n:13][cH:14][c:15]([CH:18]=[CH:19][C:20](=[O:21])[NH:35][O:34][CH:29]4[O:28][CH2:33][CH2:32][CH2:31][CH2:30]4)[n:16][cH:17]3)[CH2:9][CH2:10]2)[cH:23][cH:24][cH:25][cH:26]1)[CH3:27]