HRID1127174

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)N3CCCC3)c2C1)Cc1cc(F)c(F)cc1F

HCID76553197

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)N3CCCC3)c2C1)Cc1cc(F)c(F)cc1F

HCID74947083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac3067c5c3674d80941beeb7dd53fe53
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][C:3](=[O:4])[NH:7][CH:8]([CH2:9][C:10]([N:11]1[CH2:12][c:13]2[n:14]([c:17]([C:27]([F:28])([F:29])[F:30])[n:18][c:19]2[C:20](=[O:21])[N:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:15][CH2:16]1)=[O:31])[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]([N:11]1[CH2:12][c:13]2[n:14]([c:17]([C:27]([F:28])([F:29])[F:30])[n:18][c:19]2[C:20](=[O:21])[N:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:15][CH2:16]1)=[O:31])[CH2:32][c:33]1[c:34]([F:41])[cH:35][c:36]([F:40])[c:37]([F:39])[cH:38]1