HRID1574058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID81531

Diisopropylethylamine

C8H19N

HCID94429

Triphosgene

C3Cl6O3

HCID22017356

1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethan-1-amine

C11H11F6N

HCID178452562

未命名化合物

PRODUCTS

生成物

结构：CC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)N1CC2CC2(NC(=O)OC(C)(C)C)C1c1ccccc1

HCID178436487

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f57c8871a07e4980ac327e41f2f83ee6
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:38]([CH3:39])([CH3:40])([CH3:41])[O:42][C:43]([NH:44][C:45]12[CH:46]([c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[NH:47][CH2:48][CH:49]1[CH2:50]2)=[O:57].[CH2:67]([Cl:68])[Cl:69].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:70][C:71]#[N:72].[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[Cl:26][C:27]([Cl:28])([O:29][C:30]([O:31][C:32]([Cl:33])([Cl:34])[Cl:35])=[O:36])[Cl:37].[F:8][C:9]([c:10]1[cH:11][c:12]([CH:20]([CH3:21])[NH:22][CH3:23])[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1)([F:24])[F:25]>>[F:8][C:9]([c:10]1[cH:11][c:12]([CH:20]([CH3:21])[N:22]([CH3:23])[C:30](=[O:36])[N:47]2[CH:46]([c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[C:45]3([NH:44][C:43]([O:42][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:57])[CH:49]([CH2:48]2)[CH2:50]3)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1)([F:24])[F:25]