HRID196441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

HCID735894

Phenol, 3-(aminomethyl)-

C7H9NO

HCID68227096

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(C(=O)NCc2cccc(O)c2)cc1C(C)C

HCID68226555

2-Thiophenecarboxylic acid, 5-[[[(3-hydroxyphenyl)methyl]amino]carbonyl]-3-(1-methylethyl)-, methyl ester

C17H19NO4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43ca39524a6943b497ea5a9fa971887f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:13](=[O:14])[OH:15])[cH:8][c:9]1[CH:10]([CH3:11])[CH3:12].[NH2:57][CH2:58][c:59]1[cH:60][c:61]([OH:65])[cH:62][cH:63][cH:64]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1.[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:13](=[O:15])[NH:57][CH2:58][c:59]2[cH:60][c:61]([OH:65])[cH:62][cH:63][cH:64]2)[cH:8][c:9]1[CH:10]([CH3:11])[CH3:12]