HRID161615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

2 次

HCID962

Water

H2O

HCID79499

Benzaldehyde, 4-hydroxy-3-iodo-5-methoxy-

C8H7IO3

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

HCID19041746

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2SCC(c3cc(OC)c(OC)c(OC)c3)S2)cc(I)c1O

HCID19041761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d52d7890d01743018e68ff5bd4f9aae0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:13]([CH2:14][SH:15])[SH:16])[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[I:17][c:18]1[c:19]([OH:28])[c:20]([O:26][CH3:27])[cH:21][c:22]([CH:23]=[O:24])[cH:25]1.[OH2:52].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([O-:35])(=[O:36])=[O:37])[cH:38][cH:39]1.[cH:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[nH+:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:13]2[CH2:14][S:15][CH:23]([c:22]3[cH:21][c:20]([O:26][CH3:27])[c:19]([OH:28])[c:18]([I:17])[cH:25]3)[S:16]2)[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]