HRID682720

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

HCID8857

Ethyl acetate

C4H8O2

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID102827

BOC-DL-Methionine

C10H19NO4S

结构：COC(=O)C12CC3CC(CC(N)(C3)C1C(=O)C(Cc1ccccc1)NC(=O)CN)C2

HCID178496823

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C12CC3CC(CC(N)(C3)C1C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCSC)NC(=O)OC(C)(C)C)C2

HCID178496826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6e6602afb8d47b194e4cc72a2df0bed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH2:10][CH2:11][S:12][CH3:13])[C:14](=[O:15])[OH:16].[CH2:24]([O:25][C:26]([Cl:27])=[O:28])[CH:29]([CH3:30])[CH3:31].[CH3:17][N:18]1[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[ClH:32].[NH2:33][CH2:34][C:35](=[O:36])[NH:37][CH:38]([CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[C:46](=[O:47])[CH:48]1[C:49]2([C:59](=[O:60])[O:61][CH3:62])[CH2:50][CH:51]3[CH2:52][CH:53]([CH2:54][C:55]1([NH2:57])[CH2:56]3)[CH2:58]2.[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH2:10][CH2:11][S:12][CH3:13])[C:14](=[O:16])[NH:33][CH2:34][C:35](=[O:36])[NH:37][CH:38]([CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[C:46](=[O:47])[CH:48]1[C:49]2([C:59](=[O:60])[O:61][CH3:62])[CH2:50][CH:51]3[CH2:52][CH:53]([CH2:54][C:55]1([NH2:57])[CH2:56]3)[CH2:58]2