HRID2128848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID10700

2-Thiophenecarboxylic acid

C5H4O2S

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID58089453

未命名化合物

PRODUCTS

产物

HCID58089388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d3b4d6e06fb147869e2f82e869f02538
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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