HRID180917

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

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID55299483

未命名化合物

结构：CC(C)C(C(=O)O)N1Cc2c(F)cnc3[nH]cc(c23)C1=O

HCID67224725

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(C(=O)N1CC(C(F)F)C1)N1Cc2c(F)cnc3[nH]cc(c23)C1=O

HCID178447189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbe6d57016164cab8f56b83d4dc4f611
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

[CH2:33]([Cl:34])[CH2:35][Cl:36].[CH3:45][N:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[ClH:37].[F:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:20][nH:21]2)[C:8](=[O:19])[N:9]([CH:12]([C:13](=[O:14])[OH:15])[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13.[F:38][CH:39]([CH:40]1[CH2:41][NH:42][CH2:43]1)[F:44].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:32].[OH:22][n:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[n:30][n:31]1>>[F:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:20][nH:21]2)[C:8](=[O:19])[N:9]([CH:12]([C:13](=[O:15])[N:42]2[CH2:41][CH:40]([CH:39]([F:38])[F:44])[CH2:43]2)[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13