HRID667881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)c1nc(N(C)S(=O)(=O)CCCCCNC(=O)OC(C)(C)C)c2cccnc2c1OCc1ccccc1

HCID67109489

未命名化合物

PRODUCTS

生成物

结构：CN(c1nc(C(=O)O)c(OCc2ccccc2)c2ncccc12)S(=O)(=O)CCCCCNC(=O)OC(C)(C)C

HCID67109929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a8c627dfc274f55a9449eae1fb439e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:37](=[O:38])[O:39][CH3:40])[n:11][c:12]([N:19]([S:20](=[O:21])(=[O:22])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH3:36])[c:13]2[cH:14][cH:15][cH:16][n:17][c:18]12.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:50][OH:51].[ClH:49].[Na+:42].[OH-:41].[OH2:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:37](=[O:38])[OH:39])[n:11][c:12]([N:19]([S:20](=[O:21])(=[O:22])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH3:36])[c:13]2[cH:14][cH:15][cH:16][n:17][c:18]12