HRID1224827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID5360545

Sodium

结构：O=C(O)CCc1ccc(CCN2CCCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CCC2)cc1

HCID9871137

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)CCc1ccc(CCN2CCCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CCC2)cc1

HCID19957533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcda844bf12f4ae0b3e226341259f2be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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