HRID283684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID16028

Tetrabutylammonium

C16H36N+

HCID18523

Chloromethyl ethyl ether

C3H7ClO

结构：COc1ccc(-c2nc(-c3ccc[nH]3)sc2-c2ccc(OC)cc2)cc1

HCID3063502

Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-2-yl)-

C21H18N2O2S

PRODUCTS

生成物

结构：CCOCn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1

HCID3063491

Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-(ethoxymethyl)-1H-pyrrol-2-yl)-

C24H24N2O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aea777993fa1424a90c8459caac25bb7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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