HRID191800

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9321

Hydrazine

H4N2

HCID15908

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

C8H17N3

结构：O=C(O)C1CC2(c3ccccc3)C(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC1N2Cc1ccccc1

HCID87949838

未命名化合物

PRODUCTS

生成物

结构：NNC(=O)C1CC2(c3ccccc3)C(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC1N2Cc1ccccc1

HCID88039389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0879b31219046b2896ca188d4bc7584
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[C:16]2([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH:17]([O:26][CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[CH2:18][CH2:19][CH:20]1[CH:21]([C:23](=[O:24])[OH:25])[CH2:22]2.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:56][N:57]([CH3:58])[CH2:59][CH2:60][CH2:61][N:62]=[C:63]=[N:64][CH2:65][CH3:66].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cl:75][CH2:76][Cl:77].[ClH:55].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:67][NH2:68]>>[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[C:16]2([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH:17]([O:26][CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[CH2:18][CH2:19][CH:20]1[CH:21]([C:23](=[O:25])[NH:67][NH2:68])[CH2:22]2