HRID173880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID11031517

1-benzo[b]thiophen-3-yl-3chloro-1-propanone

C11H9ClOS

HCID69230541

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(CCN1CC2CC=CCC1CN2c1ccc2ccccc2c1)c1csc2ccccc12

HCID69233296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0ea846b5ec24edf80e2c59fe48517d7
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

[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[CH3:50][N:51]1[CH2:52][CH2:53][CH2:54][C:55]1=[O:56].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[ClH:44].[cH:1]1[c:2]([N:11]2[CH:12]3[CH2:13][CH:14]=[CH:15][CH2:16][CH:17]([CH2:18]2)[NH:19][CH2:20]3)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[s:21]1[c:22]2[c:23]([c:24]([C:26]([CH2:27][CH2:28][Cl:29])=[O:30])[cH:25]1)[cH:31][cH:32][cH:33][cH:34]2>>[ClH:29].[cH:1]1[c:2]([N:11]2[CH:12]3[CH2:13][CH:14]=[CH:15][CH2:16][CH:17]([CH2:18]2)[N:19]([CH2:28][CH2:27][C:26]([c:24]2[c:23]4[c:22]([s:21][cH:25]2)[cH:34][cH:33][cH:32][cH:31]4)=[O:30])[CH2:20]3)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12