HRID664097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID17825054

N-Methylhex-5-en-1-amine

C7H15N

结构：C=CC1CC1(NC(=O)C1CC(Oc2nc(-c3cc(F)cc(F)c3)nc3c(C)c(OC)ccc23)CC1C(=O)O)C(=O)OCC

HCID68410387

未命名化合物

PRODUCTS

生成物

结构：C=CCCCCN(C)C(=O)C1CC(Oc2nc(-c3cc(F)cc(F)c3)nc3c(C)c(OC)ccc23)CC1C(=O)NC1(C(=O)OCC)CC1C=C

HCID68413079

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24e05ab469b94595a5c4e43c9a843775
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

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[CH:15]([C:41](=[O:42])[OH:43])[CH2:16][CH:17]([O:19][c:20]3[n:21][c:22](-[c:33]4[cH:34][c:35]([F:40])[cH:36][c:37]([F:39])[cH:38]4)[n:23][c:24]4[c:25]([CH3:32])[c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1.[CH2:45]([CH2:46][CH2:47][CH2:48][CH:49]=[CH2:50])[NH:51][CH3:52].[ClH:44]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[CH:15]([C:41](=[O:42])[N:51]([CH2:45][CH2:46][CH2:47][CH2:48][CH:49]=[CH2:50])[CH3:52])[CH2:16][CH:17]([O:19][c:20]3[n:21][c:22](-[c:33]4[cH:34][c:35]([F:40])[cH:36][c:37]([F:39])[cH:38]4)[n:23][c:24]4[c:25]([CH3:32])[c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1