HRID86846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID787

Hydroxylamine

H3NO

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID119440

1-Hydroxyethyl radical

C2H5O-

结构：CCOC(=O)c1cnc(N2CC3C(C2)C3N(CCN2CCCC2=O)S(=O)(=O)c2ccc3ccccc3c2)nc1

HCID59367586

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1cnc(N2CC3C(C2)C3N(CCN2CCCC2=O)S(=O)(=O)c2ccc3ccccc3c2)nc1

HCID59367635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c2216d235c345bab32960066b3d8d2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:41][CH2:42][O-:43].[CH3:48][CH2:49][OH:50].[ClH:44].[NH2:45][OH:46].[Na+:40].[OH2:47].[cH:1]1[c:2]([S:11](=[O:12])(=[O:13])[N:14]([CH:15]2[CH:16]3[CH2:17][N:18]([c:21]4[n:22][cH:23][c:24]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:25][n:26]4)[CH2:19][CH:20]23)[CH2:32][CH2:33][N:34]2[C:35](=[O:39])[CH2:36][CH2:37][CH2:38]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[c:2]([S:11](=[O:12])(=[O:13])[N:14]([CH:15]2[CH:16]3[CH2:17][N:18]([c:21]4[n:22][cH:23][c:24]([C:27](=[O:28])[OH:29])[cH:25][n:26]4)[CH2:19][CH:20]23)[CH2:32][CH2:33][N:34]2[C:35](=[O:39])[CH2:36][CH2:37][CH2:38]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12