HRID2140483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID333944

4-(2-Methyl-2H-tetrazol-5-yl)benzoic acid

C9H8N4O2

结构：COC(=O)c1c(CN)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1

HCID71208428

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(CNC(=O)c2ccc(-c3nnn(C)n3)cc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1

HCID71208701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-beb998536ab24472a221af6274cd9541
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

[CH3:29][n:30]1[n:31][c:32](-[c:35]2[cH:36][cH:37][c:38]([C:39](=[O:40])[OH:41])[cH:42][cH:43]2)[n:33][n:34]1.[ClH:1].[NH2:2][CH2:3][c:4]1[c:5]([C:25](=[O:26])[O:27][CH3:28])[n:6](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:7]2[n:8][c:9]([C:15]([F:16])([F:17])[F:18])[cH:10][cH:11][c:12]2[c:13]1=[O:14]>>[NH:2]([CH2:3][c:4]1[c:5]([C:25](=[O:26])[O:27][CH3:28])[n:6](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:7]2[n:8][c:9]([C:15]([F:16])([F:17])[F:18])[cH:10][cH:11][c:12]2[c:13]1=[O:14])[C:39]([c:38]1[cH:37][cH:36][c:35](-[c:32]2[n:31][n:30]([CH3:29])[n:34][n:33]2)[cH:43][cH:42]1)=[O:40]