HRID178454

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+

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

HCID10964431

CHLOROMETHYL PROPYL ETHER

C4H9ClO

PRODUCTS

生成物

结构：CCCOCn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1

HCID3063492

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

C25H26N2O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef46724b567548a59d6f28f4e577a40d
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

[Br-:35].[CH2:1]([CH2:2][CH3:3])[O:4][CH2:5][Cl:6].[CH2:36]([N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[CH3:9][O:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[n:18][c:19](-[c:30]3[nH:31][cH:32][cH:33][cH:34]3)[s:20][c:21]2-[c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[cH:15][cH:16]1.[Na+:8].[OH-:7].[OH2:59].[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH2:1]([CH2:2][CH3:3])[O:4][CH2:5][n:31]1[c:30](-[c:19]2[n:18][c:17](-[c:14]3[cH:13][cH:12][c:11]([O:10][CH3:9])[cH:16][cH:15]3)[c:21](-[c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[s:20]2)[cH:34][cH:33][cH:32]1