HRID1575849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID6344

Dichloromethane

CH2Cl2

结构：CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

HCID44390385

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccc(Br)cc1OC(F)(F)F)CC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1

HCID44390456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a7cc75d21de4af7980236e9aae293d7
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

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