HRID1235663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21701210

未命名化合物

结构：Cc1ccccc1CNC(=O)C1N(C(=O)C(O)C(Cc2ccccc2)NC(=O)C(N)C(C)C)CSC1(C)C

HCID178424269

未命名化合物

PRODUCTS

生成物

结构：COC(C)OC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NCc1ccccc1C)C(C)C

HCID178496347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f8e8ee31ae1410585b42fb22b319ab5
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:1]([O:2][CH:3]([CH3:4])[O:5][CH3:6])([O:7][c:9]1[cH:10][cH:11][c:12]([N+:13]([O-:14])=[O:15])[cH:16][cH:17]1)=[O:8].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][c:36]1[c:37]([CH2:38][NH:39][C:40](=[O:41])[CH:42]2[N:43]([C:49]([CH:50]([CH:51]([CH2:52][c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[NH:59][C:60]([CH:61]([NH2:62])[CH:63]([CH3:64])[CH3:65])=[O:66])[OH:67])=[O:68])[CH2:44][S:45][C:46]2([CH3:47])[CH3:48])[cH:69][cH:70][cH:71][cH:72]1.[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:18][n:19]1[c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[n:26][n:27]1>>[C:1]([O:2][CH:3]([CH3:4])[O:5][CH3:6])(=[O:7])[NH:62][CH:61]([C:60]([NH:59][CH:51]([CH:50]([C:49]([N:43]1[CH:42]([C:40]([NH:39][CH2:38][c:37]2[c:36]([CH3:35])[cH:72][cH:71][cH:70][cH:69]2)=[O:41])[C:46]([CH3:47])([CH3:48])[S:45][CH2:44]1)=[O:68])[OH:67])[CH2:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)=[O:66])[CH:63]([CH3:64])[CH3:65]