HRID195929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID519173

1-Chloro-5-phenylpentane

C11H15Cl

HCID178520108

未命名化合物

PRODUCTS

生成物

结构：OCC1OC(n2ncc3c(SCCCCCc4ccccc4)ncnc32)C(O)C1O

HCID178520107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-440c419c0cc943bba6c400c10d912bad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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