HRID118003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75994

1-Benzylpiperazine

C11H16N2

反应SMILES：O=C(O)C1CC2(c3ccccc3)NC1CCC2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID87949642

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(C1CC2(c3ccccc3)NC1CCC2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2ccccc2)CC1

HCID88040359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8f7642efa21744bbad8cb8b35ed8b40a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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