HRID2148124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：CCC(C)(C)Cc1c[nH]c(C(Cc2ccc(-c3cn(C)nc3N(C(=O)[O-])C(C)(C)C)cc2)NC(C)=O)n1

HCID178442438

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)Cc1c[nH]c(C(Cc2ccc(-c3cn(C)nc3N)cc2)NC(C)=O)n1

HCID178442437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2d6fc06db374197a09990b4d6f0015c
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

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