HRID1569794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID5151342

4-(3-Hydroxypropyl)phenylboronic acid

C9H13BO3

HCID59438216

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1c(CN2CCN(c3nccnc3-c3ccc(CCCO)cc3)CC2)cnn1C

HCID59321846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29cf1df647784927971e5f99df61712d
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

[C:22](=[O:23])([O-:24])[O-:25].[CH3:42][N:43]([CH3:44])[C:45](=[O:46])[CH3:47].[CH3:48][C:49]#[N:50].[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][n:17][n:18]([CH3:21])[c:19]3[CH3:20])[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[ClH:41].[K+:26].[K+:27].[OH2:51].[OH:28][CH2:29][CH2:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1>>[ClH:1].[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([CH2:31][CH2:30][CH2:29][OH:28])[cH:37][cH:36]2)[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][n:17][n:18]([CH3:21])[c:19]3[CH3:20])[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1