HRID142594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID123238

1-Azabicyclo[2.2.2]octan-3-amine

C7H14N2

HCID736498

4-(Thiophen-2-yl)benzoic acid

C11H8O2S

PRODUCTS

生成物

HCID67326107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88047db8664f44a2aa2354e222916408
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

[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:43][OH:44].[CH3:46][C:47]#[N:48].[ClH:8].[ClH:9].[NH2:10][CH:11]1[CH2:12][N:13]2[CH2:14][CH2:15][CH:16]1[CH2:17][CH2:18]2.[OH2:45].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1.[s:19]1[c:20](-[c:24]2[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]2)[cH:21][cH:22][cH:23]1>>[NH:10]([CH:11]1[CH2:12][N:13]2[CH2:14][CH2:15][CH:16]1[CH2:17][CH2:18]2)[C:28]([c:27]1[cH:26][cH:25][c:24](-[c:20]2[s:19][cH:23][cH:22][cH:21]2)[cH:32][cH:31]1)=[O:29]