HRID2317403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11521393

未命名化合物

HCID18925643

Methyl 2,4-bis(trifluoromethyl)benzoate

C10H6F6O2

HCID59347787

未命名化合物

结构：CCC(C)(C(NC(=O)c1c(OC)cc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1)N1CCCC1

HCID59347796

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1

HCID59347766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4450c54fd72f4cd3b27f1a33f04b3787
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

[CH3:1][c:2]1[c:3]([C:4](=[O:5])[Cl:6])[c:7]([C:15]([F:16])([F:17])[F:18])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1.[CH3:53][O:54][c:55]1[cH:56][c:57]([C:58]([F:59])([F:60])[F:61])[cH:62][c:63]([C:64]([F:65])([F:66])[F:67])[c:68]1[C:69]([NH:70][CH:71]([c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[C:78]([CH3:79])([N:80]1[CH2:81][CH2:82][CH2:83][CH2:84]1)[CH2:85][CH3:86])=[O:87].[CH3:88][CH2:89][N:90]([CH2:91][CH3:92])[CH2:93][CH3:94].[Cl:95][CH2:96][Cl:97].[F:19][C:20]([F:21])([F:22])[c:23]1[cH:24][c:25]([C:26]([F:27])([F:28])[F:29])[cH:30][cH:31][c:32]1[C:33]([O:34][CH3:35])=[O:36].[NH2:37][CH:38]([C:39]1([N:44]([CH3:45])[CH3:46])[CH2:40][CH2:41][CH2:42][CH2:43]1)[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[NH:37][CH:38]([C:39]2([N:44]([CH3:45])[CH3:46])[CH2:40][CH2:41][CH2:42][CH2:43]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:7]([C:15]([F:16])([F:17])[F:18])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1