HRID114819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID110862

2,6-Dimethyl morpholine

C6H13NO

结构：O=C1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1

HCID21480622

1-[(2-Chloro-9,10-dihydro-9,10-methanoanthracen-9-yl)methyl]-4-piperidinone

C21H20ClNO

PRODUCTS

生成物

结构：CC1CN(C2CCN(CC34CC(c5ccccc53)c3ccc(Cl)cc34)CC2)CC(C)O1

HCID19380965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a83c1c54455243039f09cabbff2a133f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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