HRID2311687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID14086165

N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine

C7H16N2

反应SMILES：Cc1ccc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1

HCID23145971

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(NC(=O)c2ccc(CN3CCC(CN(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1

HCID23145995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c8d7551295d34fa782e872c4ae26cfb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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