HRID1125943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID563

3-Methylthiopropionate

C4H8O2S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCNCC1

HCID178466426

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)CCSC)CC1

HCID178466480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-422d27a021de4f9c8527672c7833915d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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