HRID689106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID949

N,N-Dimethylaniline

C8H11N

HCID1118

Sulfuric acid

H2O4S

HCID3283

Diethyl Ether

C4H10O

HCID13980953

未命名化合物

结构：CC(C)(C)c1cc(CCC(=O)OCCCSCCC(=O)Cl)cc(C(C)(C)C)c1O

HCID13980997

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CCCOC(=O)CCSCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c(C(C)(C)C)c1

HCID13980998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb00d1b756de495aa1b4b9acfafe6ce6
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]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:16])[c:7]([CH2:12][CH2:13][CH2:14][OH:15])[cH:8][c:9]([CH3:11])[cH:10]1.[C:26]([CH3:27])([CH3:28])([CH3:29])[c:30]1[cH:31][c:32]([CH2:41][CH2:42][C:43](=[O:44])[O:45][CH2:46][CH2:47][CH2:48][S:49][CH2:50][CH2:51][C:52](=[O:53])[Cl:54])[cH:33][c:34]([C:37]([CH3:38])([CH3:39])[CH3:40])[c:35]1[OH:36].[CH3:17][N:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH3:25].[CH3:60][CH2:61][O:62][CH2:63][CH3:64].[S:55](=[O:56])(=[O:57])([OH:58])[OH:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:16])[c:7]([CH2:12][CH2:13][CH2:14][O:15][C:52]([CH2:51][CH2:50][S:49][CH2:48][CH2:47][CH2:46][O:45][C:43]([CH2:42][CH2:41][c:32]2[cH:31][c:30]([C:26]([CH3:27])([CH3:28])[CH3:29])[c:35]([OH:36])[c:34]([C:37]([CH3:38])([CH3:39])[CH3:40])[cH:33]2)=[O:44])=[O:53])[cH:8][c:9]([CH3:11])[cH:10]1