HRID2347799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6212

Chloroform

CHCl3

HCID7258

3,4-Dichlorophenol

C6H4Cl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

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(Cl)c(Cl)c3)c3ccccc3)CC2)c1

HCID22048848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7765771fc22745eab1a0059154bc4cec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[Cl:29][c:30]1[cH:31][c:32]([OH:37])[cH:33][cH:34][c:35]1[Cl:36].[Cl:75][CH:76]([Cl:77])[Cl:78].[NH3:69].[O:57]=[C:58]([O:59][CH2:60][CH3:61])[N:62]=[N:63][C:64]([O:65][CH2:66][CH3:67])=[O:68].[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:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]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:32]1[cH:31][c:30]([Cl:29])[c:35]([Cl:36])[cH:34][cH:33]1