HRID1542123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

结构：Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(Cl)ncnc3NC(CO)Cc3ccccc3)nc12

HCID22021075

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NC(CO)Cc4ccccc4)nc[nH]c3=O)nc12

HCID135553442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee22b61f8cd34a5aba0e742738065b0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:37][C:38](=[O:39])[OH:40].[CH3:41][OH:42].[Cl:1][c:2]1[c:3](-[c:19]2[n:20][c:21]3[c:22]([nH:23]2)[cH:24][c:25](-[n:29]2[cH:30][n:31][cH:32][cH:33]2)[cH:26][c:27]3[CH3:28])[c:4]([NH:8][CH:9]([CH2:10][OH:11])[CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:5][cH:6][n:7]1.[ClH:36].[NH3:35].[OH2:34]>>[c:2]1(=[O:34])[c:3](-[c:19]2[n:20][c:21]3[c:22]([nH:23]2)[cH:24][c:25](-[n:29]2[cH:30][n:31][cH:32][cH:33]2)[cH:26][c:27]3[CH3:28])[c:4]([NH:8][CH:9]([CH2:10][OH:11])[CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:5][cH:6][nH:7]1