HRID1122221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID31268

Pyrrolidine

C4H9N

HCID736327

5-Bromo-2-fluorobenzaldehyde

C7H4BrFO

HCID2746696

2-pyrrol-1-yl-thiobenzamide

C11H10N2S

HCID17912322

未命名化合物

PRODUCTS

生成物

结构：NC(=S)c1ccccc1-n1cccc1C(c1cc(Br)ccc1F)N1CCCC1

HCID10139288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c30329beb81e48389840d872b28135c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:16][c:17]1[cH:18][cH:19][c:20]([F:29])[c:21]([CH:22]=[N+:23]2[CH2:24][CH2:25][CH2:26][CH2:27]2)[cH:28]1.[Br:30][c:31]1[cH:32][cH:33][c:34]([F:35])[c:36]([CH:38]=[O:39])[cH:37]1.[CH2:40]1[CH2:41][NH:42][CH2:43][CH2:44]1.[Cl-:15].[n:1]1(-[c:6]2[c:7]([C:8](=[S:9])[NH2:10])[cH:11][cH:12][cH:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[c:7]([C:8](=[S:9])[NH2:10])[cH:11][cH:12][cH:13][cH:14]2)[cH:2][cH:3][cH:4][c:5]1[CH:22]([c:21]1[c:20]([F:29])[cH:19][cH:18][c:17]([Br:16])[cH:28]1)[N:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1