HRID663660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID21190652

2-(2-Tert-butyl-tetrazol-5-yl)-benzaldehyde

C12H14N4O

HCID178509242

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)n1nnc(-c2ccccc2C=Nc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)n1

HCID178448766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b05beaaa4ea488ca0350e16fdec638f
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

[C:23]([CH3:24])([CH3:25])([CH3:26])[n:27]1[n:28][c:29](-[c:32]2[c:33]([CH:34]=[O:35])[cH:36][cH:37][cH:38][cH:39]2)[n:30][n:31]1.[CH3:19][C:20](=[O:21])[OH:22].[CH3:40][OH:41].[NH2:1][c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12>>[N:1]([c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12)=[CH:34][c:33]1[c:32](-[c:29]2[n:28][n:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[n:31][n:30]2)[cH:39][cH:38][cH:37][cH:36]1