HRID195965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID67874

4-(Trifluoromethyl)phenol

C7H5F3O

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCC(O)c3ccccc3)CC2)c1

HCID22048590

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCC(Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)c1

HCID22048776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab7bddd193004414bb217911d9f8420f
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

[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[Cl:77][CH:78]([Cl:79])[Cl:80].[F:29][C:30]([c:31]1[cH:32][cH:33][c:34]([OH:37])[cH:35][cH:36]1)([F:38])[F:39].[NH3:71].[O:59]=[C:60]([O:61][CH2:62][CH3:63])[N:64]=[N:65][C:66]([O:67][CH2:68][CH3:69])=[O:70].[OH:1][CH:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][c:13]([NH:17][C:18]([CH:19]([CH3:20])[CH3:21])=[O:22])[cH:14][cH:15][cH:16]2)[CH2:9][CH2:10]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[O:1]([CH:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][c:13]([NH:17][C:18]([CH:19]([CH3:20])[CH3:21])=[O:22])[cH:14][cH:15][cH:16]2)[CH2:9][CH2:10]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:34]1[cH:33][cH:32][c:31]([C:30]([F:29])([F:38])[F:39])[cH:36][cH:35]1