HRID1239890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID2764081

N-Boc-4-piperidinemethanol

C11H21NO3

结构：Cc1ccc(C(=S)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(O)c1

HCID136348818

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=S)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1

HCID86620005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cae8a3f8c385401496cf5df81c9fa0c4
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:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[N:35]1[CH2:36][CH2:37][CH:38]([CH2:41][OH:42])[CH2:39][CH2:40]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[n:12][cH:13][cH:14][cH:15][c:16]2[NH:17][C:18]([c:19]2[c:20]([OH:26])[cH:21][c:22]([CH3:25])[cH:23][cH:24]2)=[S:27])[n:6][cH:7]1.[O:62]=[C:63]([O:64][CH2:65][CH3:66])[N:67]=[N:68][C:69]([O:70][CH2:71][CH3:72])=[O:73].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[n:12][cH:13][cH:14][cH:15][c:16]2[NH:17][C:18]([c:19]2[c:20]([O:26][CH2:41][CH:38]3[CH2:37][CH2:36][N:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:40][CH2:39]3)[cH:21][c:22]([CH3:25])[cH:23][cH:24]2)=[S:27])[n:6][cH:7]1