HRID1231723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID152842

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

C6H8ClN2O5P

结构：CC(C)(C)OC(=O)NC(CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1)Cc1cc(F)c(F)cc1F

HCID57518404

未命名化合物

HCID178459997

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2

HCID57518470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84453a00e0804604853d630c7932ca33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[N:13]1[CH2:14][c:15]2[n:16]([c:19]([C:25]([F:26])([F:27])[F:28])[n:20][c:21]2[C:22](=[O:23])[OH:24])[CH2:17][CH2:18]1)[CH2:29][c:30]1[c:31]([F:38])[cH:32][c:33]([F:37])[c:34]([F:36])[cH:35]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH:54]([CH3:55])([CH3:56])[O:57][Na:58].[CH:61]([OH:62])([CH3:63])[CH3:64].[Cl-:59].[Cl:72][CH2:73][Cl:74].[NH4+:60].[O:39]=[C:40]1[N:41]([P:42]([Cl:43])([N:44]2[CH2:45][CH2:46][O:47][C:48]2=[O:49])=[O:50])[CH2:51][CH2:52][O:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[N:13]1[CH2:14][c:15]2[n:16]([c:19]([C:25]([F:26])([F:27])[F:28])[n:20][c:21]2[C:22]([O:23][CH:54]([CH3:55])[CH3:56])=[O:24])[CH2:17][CH2:18]1)[CH2:29][c:30]1[c:31]([F:38])[cH:32][c:33]([F:37])[c:34]([F:36])[cH:35]1