HRID190691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID262751

Phenylalanine, 1,1-dimethylethyl ester

C13H19NO2

结构：O=C(SCCC(=O)N1C(C(=O)O)CCC1c1ccccc1O)c1ccccc1

HCID12878445

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)C1CCC(c2ccccc2O)N1C(=O)CCSC(=O)c1ccccc1

HCID178450910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afbfc3e2be8549ba80d6d88ded05da81
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

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[S:9][CH2:10][CH2:11][C:12](=[O:13])[N:14]1[CH:15]([C:26](=[O:27])[OH:28])[CH2:16][CH2:17][CH:18]1[c:19]1[c:20]([OH:25])[cH:21][cH:22][cH:23][cH:24]1.[C:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42]([CH:43]([NH2:44])[CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)=[O:52].[C:65]([Cl:66])(=[O:67])[O:68][CH2:69][CH:70]([CH3:71])[CH3:72].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:29][N:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[ClH:36]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[S:9][CH2:10][CH2:11][C:12](=[O:13])[N:14]1[CH:15]([C:26](=[O:28])[NH:44][CH:43]([C:42]([O:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:52])[CH2:45][c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[CH2:16][CH2:17][CH:18]1[c:19]1[c:20]([OH:25])[cH:21][cH:22][cH:23][cH:24]1