HRID672994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6585

Peracetic acid

C2H4O3

HCID8028

Tetrahydrofuran

C4H8O

HCID104748

Sulfurous acid, ion(1-)

HO3S-

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(C(C#N)C(=O)N(C)C)ncn3)cc12

HCID59824995

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(C(=O)C(=O)N(C)C)ncn3)cc12

HCID59825061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f974a1a25d24d498d6d408904300cfb
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

[C:1](#[N:2])[CH:3]([C:4](=[O:5])[N:6]([CH3:7])[CH3:8])[c:9]1[n:10][cH:11][n:12][c:13](-[c:15]2[cH:16][c:17]3[c:18]([n:19][cH:20]2)[n:21]([S:32](=[O:33])(=[O:34])[c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[cH:22][c:23]3-[c:24]2[c:25]([O:30][CH3:31])[cH:26][cH:27][cH:28][cH:29]2)[cH:14]1.[C:42]([O:43][OH:45])(=[O:44])[CH3:46].[C:52](=[O:53])([OH:54])[O-:55].[Na+:51].[Na+:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:62].[S:47](=[O:48])([OH:49])[O-:50]>>[C:3]([C:4](=[O:5])[N:6]([CH3:7])[CH3:8])([c:9]1[n:10][cH:11][n:12][c:13](-[c:15]2[cH:16][c:17]3[c:18]([n:19][cH:20]2)[n:21]([S:32](=[O:33])(=[O:34])[c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[cH:22][c:23]3-[c:24]2[c:25]([O:30][CH3:31])[cH:26][cH:27][cH:28][cH:29]2)[cH:14]1)=[O:44]