HRID1537108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID11485

2-Chloro-N-phenylacetamide

C8H8ClNO

反应SMILES：O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1

HCID23056

3-Quinuclidinyl benzilate

C21H23NO3

PRODUCTS

产物

HCID312

Chloride

Cl-

反应SMILES：O=C(C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2)Nc1ccccc1

HCID11294363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-36bbb4ca9fc249d3a5fcb7dbba72792f
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

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