HRID177923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID84552

N-Methyl-tert-butylamine

C5H13N

HCID94429

Triphosgene

C3Cl6O3

结构：CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)C[NH2+]Cc3cc(F)cc(F)c3)cc1C2

HCID178481633

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)NC(=O)N1C)Cc1cc(F)cc(F)c1)C(C)(C)C

HCID178485937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4373fc4e19504e5bae4f9f0184b929a0
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

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