HRID1232625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID62908

Methyl 2-hydroxy-4-methylpentanoate

C7H14O3

HCID75555

未命名化合物

结构：Cc1noc(NC(=O)OCC(Cl)(Cl)Cl)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID22235871

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CC(C)C)N(C(=O)OCC(Cl)(Cl)Cl)c1onc(C)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID22235802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb3e2d777a9c4a4d8cea9b449d8d777c
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

[CH3:1][c:2]1[n:3][o:4][c:5]([NH:26][C:27](=[O:28])[O:29][CH2:30][C:31]([Cl:32])([Cl:33])[Cl:34])[c:6]1-[c:7]1[cH:8][cH:9][c:10]([N:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]2)[cH:11][cH:12]1.[O:64]=[C:65]([O:66][CH:67]([CH3:68])[CH3:69])[N:70]=[N:71][C:72]([O:73][CH:74]([CH3:75])[CH3:76])=[O:77].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH2:83].[OH:35][CH:36]([C:37](=[O:38])[O:39][CH3:40])[CH2:41][CH:42]([CH3:43])[CH3:44].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[CH3:1][c:2]1[n:3][o:4][c:5]([N:26]([C:27](=[O:28])[O:29][CH2:30][C:31]([Cl:32])([Cl:33])[Cl:34])[CH:36]([C:37](=[O:38])[O:39][CH3:40])[CH2:41][CH:42]([CH3:43])[CH3:44])[c:6]1-[c:7]1[cH:8][cH:9][c:10]([N:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]2)[cH:11][cH:12]1