HRID90886

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)N3CCC(C(N)=O)CC3)c2C1)Cc1cc(F)c(F)cc1F

HCID76553192

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：NC(=O)C1CCN(C(=O)c2nc(C(F)(F)F)n3c2CN(C(=O)CC(N)Cc2cc(F)c(F)cc2F)CC3)CC1

HCID57518414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-081f75a332cc492dac5b3f2ee31b65ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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:32]([F:33])([F:34])[F:35])[n:19][c:20]2[C:21](=[O:22])[N:23]2[CH2:24][CH2:25][CH:26]([C:29]([NH2:30])=[O:31])[CH2:27][CH2:28]2)[CH2:16][CH2:17]1)[CH2:36][c:37]1[c:38]([F:45])[cH:39][c:40]([F:44])[c:41]([F:43])[cH:42]1)([CH3:5])([CH3:6])[CH3:46].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[ClH:47]>>[ClH:47].[NH2:7][CH:8]([CH2:9][C:10](=[O:11])[N:12]1[CH2:13][c:14]2[n:15]([c:18]([C:32]([F:33])([F:34])[F:35])[n:19][c:20]2[C:21](=[O:22])[N:23]2[CH2:24][CH2:25][CH:26]([C:29]([NH2:30])=[O:31])[CH2:27][CH2:28]2)[CH2:16][CH2:17]1)[CH2:36][c:37]1[c:38]([F:45])[cH:39][c:40]([F:44])[c:41]([F:43])[cH:42]1