HRID682614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

结构：COc1ccc(COCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)[nH]2)cc1

HCID178491401

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(COCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)n2Cc2ccccc2)cc1

HCID22130936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f4ab9820f2d47358057b9c1a85f0089
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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