HRID700260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID18450

2-Chloro-4,6-dimethoxy-1,3,5-triazine

C5H6ClN3O2

结构：O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(C(F)(F)F)c1

HCID53401172

2-Chloro-5-[3-(trifluoromethyl)benzamido]benzoic acid

C15H9ClF3NO3

结构：Nc1cnc(Nc2ccc(C(=O)NCCN3CCCC3)nc2)nc1

HCID58748725

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(C(=O)NCCN4CCCC4)nc3)nc2)c1)c1cccc(C(F)(F)F)c1

HCID24961462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6f8b6cae5904b0eb145335175a6cc4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:35][N:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[Cl:24][c:25]1[n:26][c:27]([O:28][CH3:29])[n:30][c:31]([O:32][CH3:33])[n:34]1.[Cl:66][CH2:67][Cl:68].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([Cl:18])[c:13]([C:14](=[O:15])[OH:16])[cH:17]2)[cH:19][cH:20][cH:21]1)([F:22])[F:23].[N:42]1([CH2:47][CH2:48][NH:49][C:50](=[O:51])[c:52]2[n:53][cH:54][c:55]([NH:58][c:59]3[n:60][cH:61][c:62]([NH2:65])[cH:63][n:64]3)[cH:56][cH:57]2)[CH2:43][CH2:44][CH2:45][CH2:46]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([Cl:18])[c:13]([C:14](=[O:15])[NH:65][c:62]3[cH:61][n:60][c:59]([NH:58][c:55]4[cH:54][n:53][c:52]([C:50]([NH:49][CH2:48][CH2:47][N:42]5[CH2:43][CH2:44][CH2:45][CH2:46]5)=[O:51])[cH:57][cH:56]4)[n:64][cH:63]3)[cH:17]2)[cH:19][cH:20][cH:21]1)([F:22])[F:23]