HRID108524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID12889

Benzoic acid, 3,5-bis(trifluoromethyl)-

C9H4F6O2

HCID152842

Bis(2-oxo-3-oxazolidinyl)phosphinic chloride

C6H8ClN2O5P

结构：O=C(N(Cc1ccnc2ccccc12)C1CCNC(Cc2ccccc2)C1)C(F)(F)F

HCID54011634

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N(Cc2ccnc3ccccc23)C(=O)C(F)(F)F)CC1Cc1ccccc1

HCID53973484

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fa025abe9234ea7a0d2921a1d4b7748
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

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