HRID1233232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID7852

Propylamine

C3H9N

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(NCc3ccc(C(=O)O)c(F)c3)c2CC1

HCID57656039

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)OC(C)(C)C)CC3)cc1F

HCID57655943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab5bd8e1ebbe4afeac7ca8be89957659
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:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH2:34][CH2:35][c:36]2[c:37]([c:40]([NH:45][CH2:46][c:47]3[cH:48][c:49]([F:56])[c:50]([C:53](=[O:54])[OH:55])[cH:51][cH:52]3)[c:41]([Cl:44])[cH:42][cH:43]2)[CH2:38][CH2:39]1.[CH2:1]([CH2:2][CH3:3])[NH2:4].[CH2:22]([Cl:23])[CH2:24][Cl:25].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH:15]([NH:16][CH:17]([CH3:18])[CH3:19])([CH3:20])[CH3:21].[OH:5][n:6]1[c:7]2[c:8]([cH:9][cH:10][cH:11][cH:12]2)[n:13][n:14]1>>[CH2:1]([CH2:2][CH3:3])[NH:4][C:53]([c:50]1[c:49]([F:56])[cH:48][c:47]([CH2:46][NH:45][c:40]2[c:37]3[c:36]([cH:43][cH:42][c:41]2[Cl:44])[CH2:35][CH2:34][N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:39][CH2:38]3)[cH:52][cH:51]1)=[O:54]