HRID689104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)NC(CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)C3CCCC3)c2C1)Cc1cc(F)c(F)cc1F

HCID76553210

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：NC(CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)C3CCCC3)c2C1)Cc1cc(F)c(F)cc1F

HCID74947166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db06ba7a41f94e888ed897361f44f864
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][C:3](=[O:4])[NH:7][CH:8]([CH2:9][C:10](=[O:11])[N:12]1[CH2:13][c:14]2[n:15]([c:18]([C:28]([F:29])([F:30])[F:31])[n:19][c:20]2[C:21](=[O:22])[CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:16][CH2:17]1)[CH2:32][c:33]1[c:34]([F:41])[cH:35][c:36]([F:40])[c:37]([F:39])[cH:38]1)([CH3:5])([CH3:6])[CH3:42].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[ClH:43]>>[ClH:43].[NH2:7][CH:8]([CH2:9][C:10](=[O:11])[N:12]1[CH2:13][c:14]2[n:15]([c:18]([C:28]([F:29])([F:30])[F:31])[n:19][c:20]2[C:21](=[O:22])[CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:16][CH2:17]1)[CH2:32][c:33]1[c:34]([F:41])[cH:35][c:36]([F:40])[c:37]([F:39])[cH:38]1