HRID294735

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：CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(Nc3ncc(N)cn3)cc2)CC1

HCID58748726

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4Cl)cn3)cc2)CC1

HCID59652742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9a7d4076f2d44b3b8c17f65abdbc6dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:42]([CH3:43])([CH3:44])([CH3:45])[O:46][C:47](=[O:48])[N:49]1[CH2:50][CH2:51][CH:52]([S:55](=[O:56])(=[O:57])[c:58]2[cH:59][cH:60][c:61]([NH:64][c:65]3[n:66][cH:67][c:68]([NH2:71])[cH:69][n:70]3)[cH:62][cH:63]2)[CH2:53][CH2:54]1.[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:72][CH2:73][Cl:74].[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]>>[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:16])[NH:71][c:68]3[cH:67][n:66][c:65]([NH:64][c:61]4[cH:60][cH:59][c:58]([S:55]([CH:52]5[CH2:51][CH2:50][N:49]([C:47]([O:46][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:48])[CH2:54][CH2:53]5)(=[O:56])=[O:57])[cH:63][cH:62]4)[n:70][cH:69]3)[cH:17]2)[cH:19][cH:20][cH:21]1)([F:22])[F:23]