HRID181600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID27946

1-Pyrrolidinamine

C4H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2777319

4-(Trifluoromethoxy)phenylacetic acid

C9H7F3O3

HCID57970112

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)nc(NC2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)c1

HCID57970212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5926dbe956c4aaf93cd374f1d2af37d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:36]([Cl:37])[CH2:38][Cl:39].[CH3:7][c:8]1[cH:9][c:10]([NH:15][CH:16]2[CH2:17][NH:18][CH2:19][CH2:20]2)[n:11][c:12]([CH3:14])[cH:13]1.[CH:52]([Cl:53])([Cl:54])[Cl:55].[ClH:40].[F:21][C:22]([O:23][c:24]1[cH:25][cH:26][c:27]([CH2:30][C:31](=[O:32])[OH:33])[cH:28][cH:29]1)([F:34])[F:35].[NH2:1][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6]1.[OH2:51].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[CH3:7][c:8]1[cH:9][c:10]([NH:15][CH:16]2[CH2:17][N:18]([C:31]([CH2:30][c:27]3[cH:26][cH:25][c:24]([O:23][C:22]([F:21])([F:34])[F:35])[cH:29][cH:28]3)=[O:32])[CH2:19][CH2:20]2)[n:11][c:12]([CH3:14])[cH:13]1