HRID1139152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID243718

1,1-Dibutoxycyclohexane

C14H28O2

结构：CCn1c(CO)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1

HCID473933

(5-(3,5-Dichlorophenylthio)-1-ethyl-4-isopropyl-1H-imidazol-2-yl)methanol

C15H18Cl2N2OS

HCID4989215

Pyridinium

C5H6N+

PRODUCTS

生成物

结构：CCCCOC1(OCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)n2CC)CCCC1

HCID53719220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9df8db6e12c14409bee5766f45788457
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

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