HRID2316474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

HCID81531

Diisopropylethylamine

C8H19N

HCID4686861

tert-Butylsulfinyl chloride

C4H9ClOS

结构：CCC1CC(N)CC1c1nnc2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)n12

HCID58009888

未命名化合物

PRODUCTS

生成物

结构：CCC1CC(NS(=O)(=O)C(C)(C)C)CC1c1nnc2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)n12

HCID77394356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef662a8cb23a494996b7467ca34e5cad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([NH2:30])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[cH:18][cH:19]1.[CH3:40][C:41]([CH3:42])([CH3:43])[S:44](=[O:45])[Cl:46].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:47][c:48]1[cH:49][cH:50][cH:51][c:52]([C:53]([O:54][OH:56])=[O:55])[cH:57]1.[Cl:58][CH2:59][Cl:60].[Na+:71].[O-:67][C:68]([OH:69])=[O:70]>>[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([NH:30][S:44]([C:41]([CH3:40])([CH3:42])[CH3:43])(=[O:45])=[O:55])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[cH:18][cH:19]1