HRID1151054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

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

HCID178496828

未命名化合物

结构：CSCCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)O

HCID178503756

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)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C2

HCID178496824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31822c2aae284a9b9c5e5b59a9eaf73e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]1)[C:18](=[O:19])[NH:20][CH:21]([CH2:22][CH2:23][S:24][CH3:25])[C:26](=[O:27])[NH:28][CH2:29][C:30](=[O:31])[OH:32].[CH2:40]([O:41][C:42]([Cl:43])=[O:44])[CH:45]([CH3:46])[CH3:47].[CH3:33][N:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[CH3:75][N:76]([CH3:77])[CH2:78][CH2:79][NH2:80].[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[ClH:48].[NH2:49][CH:50]([CH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[C:58](=[O:59])[CH:60]1[C:61]2([C:71](=[O:72])[O:73][CH3:74])[CH2:62][CH:63]3[CH2:64][CH:65]([CH2:66][C:67]1([NH2:69])[CH2:68]3)[CH2:70]2>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]1)[C:18](=[O:19])[NH:20][CH:21]([CH2:22][CH2:23][S:24][CH3:25])[C:26](=[O:27])[NH:28][CH2:29][C:30](=[O:31])[NH:49][CH:50]([CH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[C:58](=[O:59])[CH:60]1[C:61]2([C:71](=[O:72])[O:73][CH3:74])[CH2:62][CH:63]3[CH2:64][CH:65]([CH2:66][C:67]1([NH2:69])[CH2:68]3)[CH2:70]2