HRID1221643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID44182346

7-Benzyl-2,7-diazaspiro[3.5]nonane

C14H20N2

结构：O=C(O)CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O

HCID67357191

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CC2(CCN(Cc3ccccc3)CC2)C1

HCID67358657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9dbe99233fc431a9153e4b8e7fcda86
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][NH:13][CH2:14]2)[CH2:15][CH2:16]1.[CH2:41]([N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50])[CH3:51].[CH3:52][N:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[Cl:59][CH2:60][Cl:61].[F:17][c:18]1[cH:19][cH:20][c:21]([C:24]2([c:34]3[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]3)[C:25](=[O:33])[N:26]([CH2:29][C:30](=[O:31])[OH:32])[CH2:27][CH2:28]2)[cH:22][cH:23]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][N:13]([C:30]([CH2:29][N:26]3[C:25](=[O:33])[C:24]([c:21]4[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]4)([c:34]4[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]4)[CH2:28][CH2:27]3)=[O:31])[CH2:14]2)[CH2:15][CH2:16]1