HRID189838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7914

Isopropyl ether

C6H14O

HCID8857

Ethyl acetate

C4H8O2

2 次

反应SMILES：CC(c1cccc2ccccc12)N(CC1CCN(C(=O)CCC(=O)Nc2ccc(C(=O)O)cc2)CC1c1cccc(F)c1)C(=O)OC(C)(C)C

HCID178435697

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：CC(NCC1CCN(C(=O)CCC(=O)Nc2ccc(C(=O)O)cc2)CC1c1cccc(F)c1)c1cccc2ccccc12

HCID178463734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c043efc0a75c449ab7dacb070ff6619a
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]([O:2][C:3](=[O:4])[N:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][CH:22]1[CH:23]([c:44]2[cH:45][c:46]([F:50])[cH:47][cH:48][cH:49]2)[CH2:24][N:25]([C:28]([CH2:29][CH2:30][C:31](=[O:32])[NH:33][c:34]2[cH:35][cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:41][cH:42]2)=[O:43])[CH2:26][CH2:27]1)([CH3:5])([CH3:6])[CH3:7].[C:51]([O:52][CH2:53][CH3:54])(=[O:55])[CH3:56].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH:58]([O:59][CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[ClH:57]>>[ClH:57].[NH:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][CH:22]1[CH:23]([c:44]2[cH:45][c:46]([F:50])[cH:47][cH:48][cH:49]2)[CH2:24][N:25]([C:28]([CH2:29][CH2:30][C:31](=[O:32])[NH:33][c:34]2[cH:35][cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:41][cH:42]2)=[O:43])[CH2:26][CH2:27]1