HRID2130869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID10821

Phenylacetylene

C8H6

HCID11776

Triphenylphosphine

C18H15P

HCID30165

Iodide ion

I-

HCID2320602

2-(4-Bromophenyl)benzothiazole

C13H8BrNS

PRODUCTS

生成物

结构：C(#Cc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1

HCID14766356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-109fbf9be5e94c6197fdfc3a7debb6af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[s:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][cH:15][cH:16]3)[cH:6][cH:7]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[I-:44].[c:17]1([C:23]#[CH:24])[cH:18][cH:19][cH:20][cH:21][cH:22]1.[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[c:2]1([C:24]#[C:23][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:3][cH:4][c:5](-[c:8]2[s:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][cH:15][cH:16]3)[cH:6][cH:7]1