HRID1553040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6422

未命名化合物

HCID11671

2-Hydroxyisobutyric acid

C4H8O3

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(C3CCNCC3)cc1OCC2

HCID58204550

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(C3CCN(C(=O)C(C)(C)O)CC3)cc1OCC2

HCID58204485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ca74d9891ee4e6e89769d52ac115520
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:73](=[O:74])([OH:75])[O-:76].[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[CH:8]([CH3:9])([CH3:10])[n:11]1[n:12][cH:13][n:14][c:15]1-[c:16]1[cH:17][n:18]2[c:24]([n:25]1)-[c:23]1[c:22]([cH:29][c:28]([CH:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[cH:27][cH:26]1)[O:21][CH2:20][CH2:19]2.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:77].[OH:36][C:37]([C:38](=[O:39])[OH:40])([CH3:41])[CH3:42].[OH:54][n:55]1[c:56]2[c:57]([cH:58][cH:59][cH:60][cH:61]2)[n:62][n:63]1>>[CH:8]([CH3:9])([CH3:10])[n:11]1[n:12][cH:13][n:14][c:15]1-[c:16]1[cH:17][n:18]2[c:24]([n:25]1)-[c:23]1[c:22]([cH:29][c:28]([CH:30]3[CH2:31][CH2:32][N:33]([C:38]([C:37]([OH:36])([CH3:41])[CH3:42])=[O:39])[CH2:34][CH2:35]3)[cH:27][cH:26]1)[O:21][CH2:20][CH2:19]2