HRID202446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6570

Methyl vinyl ketone

C4H6O

HCID121108

4-(Dibenzo[b,e]thiepin-11(6H)-ylidene)-1-methylpiperidine

C20H21NS

HCID15077940

未命名化合物

PRODUCTS

生成物

结构：CC(=O)CCN1CCC(=C2c3ccccc3CSc3ccccc32)CC1

HCID20371484

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29a24b7ee3184e699e462ba15a4436ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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