HRID1134410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID1099

Sulfite

O3S-2

HCID6340

Ethane, iodo-

C2H5I

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(=O)(=O)Cl

HCID59598561

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)c1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC

HCID57329202

5-[5-(Ethylsulfonyl)-4-methoxy-2-(1-methylethyl)phenoxy]-2,4-pyrimidinediamine

C16H22N4O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-015f1695b83e44198f8c9c12c2ad24e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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