HRID1568119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8795

1-(2-Aminoethyl)piperazine

C6H15N3

HCID2724942

未命名化合物

HCID17975397

1-[5-Acetyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-3-(4-o-tolyl-piperazin-1-yl)-propan-2-one

C29H32F3N5O2

PRODUCTS

产物

HCID10168473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-72d2b99717564e8884257d865266614f
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

[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([n:10]([CH2:23][C:24]([CH2:25][N:26]3[CH2:27][CH2:28][N:29]([c:32]4[c:33]([CH3:38])[cH:34][cH:35][cH:36][cH:37]4)[CH2:30][CH2:31]3)=[O:39])[n:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[CH2:8][CH2:9]1.[C:53]([O:54][BH-:55]([O:56][C:57](=[O:58])[CH3:59])[O:60][C:61](=[O:62])[CH3:63])(=[O:64])[CH3:65].[CH3:49][C:50](=[O:51])[OH:52].[CH3:71][OH:72].[Cl:67][CH2:68][CH2:69][Cl:70].[Cl:73][CH2:74][Cl:75].[NH2:40][CH2:41][CH2:42][N:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1.[Na+:66]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([n:10]([CH2:23][CH:24]([CH2:25][N:26]3[CH2:27][CH2:28][N:29]([c:32]4[c:33]([CH3:38])[cH:34][cH:35][cH:36][cH:37]4)[CH2:30][CH2:31]3)[NH:40][CH2:41][CH2:42][N:43]3[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]3)[n:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[CH2:8][CH2:9]1