HRID2163045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID818352

5-(methoxycarbonyl)thiophene-2-carboxylic acid

C7H6O4S

HCID58629028

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)NC(C)c2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2)s1

HCID69135118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f77074f277534a48a7b91902ed29b4e7
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

[CH3:14][N:15]([CH3:16])[CH2:17][CH2:18][CH2:19][N:20]=[C:21]=[N:22][CH2:23][CH3:24].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:10](=[O:11])[OH:12])[cH:8][cH:9]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:65][CH2:66][Cl:67].[ClH:13].[F:43][C:44]([O:45][c:46]1[cH:47][cH:48][c:49]([CH2:50][O:51][c:52]2[cH:53][cH:54][c:55]([CH:58]([CH3:59])[NH2:60])[cH:56][cH:57]2)[cH:61][cH:62]1)([F:63])[F:64].[OH2:25].[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:10](=[O:12])[NH:60][CH:58]([c:55]2[cH:54][cH:53][c:52]([O:51][CH2:50][c:49]3[cH:48][cH:47][c:46]([O:45][C:44]([F:43])([F:63])[F:64])[cH:62][cH:61]3)[cH:57][cH:56]2)[CH3:59])[cH:8][cH:9]1