HRID150024

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID1140

Toluene

C7H8

HCID8082

Piperidine

C5H11N

HCID11586336

1,5-naphthyridine-2-carbaldehyde

C9H6N2O

HCID178430548

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(CNC2=NC(=O)C(=Cc3ccc4ncccc4n3)S2)cn1

HCID178430547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41ec7aabef6c440186e5b758b19716fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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