HRID94687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

结构：CSc1nccc(OCC(C)CN2CCN(c3cc(C4CCC4)nc(C(C)(C)C)n3)CC2)n1

HCID69026798

未命名化合物

PRODUCTS

生成物

结构：CC(COc1ccnc(O)n1)CN1CCN(c2cc(C3CCC3)nc(C(C)(C)C)n2)CC1

HCID178458718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3547da191c8f47d4ba5c32f815bbab2c
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

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