HRID182857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7237

o-Xylene

C8H10

HCID7964

Chlorobenzene

C6H5Cl

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID92890

3,4-Dihydro-2H-1-benzopyran-4-ol

C9H10O2

PRODUCTS

生成物

HCID9211

1,2-Benzopyran

C9H8O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4fcfa5939af402db3cbffd389ba778e
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

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