HRID2342381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID55295688

1-(4,6-Dimethyl-2-pyrimidinyl)cyclopropanamine

C9H13N3

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)O)c(OC)cc3C)cc12

HCID59275604

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5nc(C)cc(C)n5)CC4)c(OC)cc3C)cc12

HCID59505137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c54f19c05c994584b292f4484904d6c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:55]([Cl:56])[CH2:57][Cl:58].[CH3:33][c:34]1[n:35][c:36]([C:41]2([NH2:44])[CH2:42][CH2:43]2)[n:37][c:38]([CH3:40])[cH:39]1.[Cl:60][CH2:61][Cl:62].[ClH:59].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[c:22]([CH3:32])[cH:23][c:24]([O:30][CH3:31])[c:25]([C:26](=[O:27])[OH:28])[cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1.[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[c:22]([CH3:32])[cH:23][c:24]([O:30][CH3:31])[c:25]([C:26](=[O:27])[NH:44][C:41]4([c:36]5[n:35][c:34]([CH3:33])[cH:39][c:38]([CH3:40])[n:37]5)[CH2:42][CH2:43]4)[cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1