HRID211892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：Cc1cc(C)cc(Sc2c(C(C)C)nc(C)n2COCCO)c1

HCID478180

未命名化合物

HCID523052

1,1-Dimethoxycyclopentane

C7H14O2

PRODUCTS

生成物

结构：COC1(OCCOCn2c(C)nc(C(C)C)c2Sc2cc(C)cc(C)c2)CCCC1

HCID15887184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6743ec83e874fb880429e657f09e316
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

[CH2:52]([Cl:53])[Cl:54].[CH3:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH:21]([CH3:22])[CH3:23])[n:12][c:13]([CH3:20])[n:14]2[CH2:15][O:16][CH2:17][CH2:18][OH:19])[cH:5][c:6]([CH3:8])[cH:7]1.[CH3:36][O:37][C:38]1([O:43][CH3:44])[CH2:39][CH2:40][CH2:41][CH2:42]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[OH2:24].[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1>>[CH3:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH:21]([CH3:22])[CH3:23])[n:12][c:13]([CH3:20])[n:14]2[CH2:15][O:16][CH2:17][CH2:18][O:19][C:38]2([O:37][CH3:36])[CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:5][c:6]([CH3:8])[cH:7]1