HRID1216748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7953

2,4,6-Trimethylpyridine

C8H11N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID585096

Benzomorpholine

C8H9NO

反应SMILES：Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CO)ccc21

HCID15516933

未命名化合物

PRODUCTS

产物

反应SMILES：Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOc4ccccc43)ccc21

HCID16073865

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ce4653296c304085b0a26224af51d088
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[CH3:50][N:51]([c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1)[CH3:58].[CH3:67][OH:68].[Cl:64][CH2:65][Cl:66].[Cl:6][c:7]1[cH:8][cH:9][c:10]([CH2:11][NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17]([CH3:28])[c:18]3[cH:19][cH:20][c:21]([CH2:26][OH:27])[cH:22][c:23]3[c:24]2=[O:25])[cH:29][cH:30]1.[O:40]1[CH2:41][CH2:42][NH:43][c:44]2[c:45]1[cH:46][cH:47][cH:48][cH:49]2.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:69].[n:31]1[c:32]([CH3:33])[cH:34][c:35]([CH3:36])[cH:37][c:38]1[CH3:39]>>[Cl:6][c:7]1[cH:8][cH:9][c:10]([CH2:11][NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17]([CH3:28])[c:18]3[cH:19][cH:20][c:21]([CH2:26][N:43]4[CH2:42][CH2:41][O:40][c:45]5[c:44]4[cH:49][cH:48][cH:47][cH:46]5)[cH:22][c:23]3[c:24]2=[O:25])[cH:29][cH:30]1