HRID316933

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID53733515

未命名化合物

HCID136340686

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1nnc(-c2ccc(O)cc2)s1)C(O)CCCCCCc1ccccc1

HCID136340689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7270858ad64e430c9c3793da9569459a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:43][N:44]([CH3:45])[CH2:46][CH2:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH3:53].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[ClH:42].[NH2:1][CH2:2][c:3]1[n:4][n:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([OH:14])[cH:12][cH:13]2)[s:7]1.[Na+:72].[O-:68][C:69]([OH:70])=[O:71].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:15][CH:16]([C:17](=[O:18])[OH:19])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[NH:1]([CH2:2][c:3]1[n:4][n:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([OH:14])[cH:12][cH:13]2)[s:7]1)[C:17]([CH:16]([OH:15])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:18]