HRID1135429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID94459

1-(2-Pyridinyl)piperazine

C9H13N3

结构：CC(C)CC(C(=O)Oc1c(F)c(F)c(F)c(F)c1F)C1OC(C)(C)OC1=O

HCID72807234

未命名化合物

结构：CC(C)CC(C(=O)N1CCN(c2ccccn2)CC1)C(O)C(=O)NO

HCID72983429

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)N1CCN(c2ccccn2)CC1)C1OC(C)(C)OC1=O

HCID178445111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb90b0a837c147eeb1cf7ec317488b76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][C:2]1([CH3:27])[O:3][C:4](=[O:26])[CH:5]([CH:7]([C:8]([O:10][c:9]2[c:11]([F:12])[c:13]([F:14])[c:15]([F:16])[c:17]([F:18])[c:19]2[F:20])=[O:21])[CH2:22][CH:23]([CH3:24])[CH3:25])[O:6]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:28][NH:29][C:30](=[O:31])[CH:32]([OH:33])[CH:34]([C:35](=[O:36])[N:39]1[CH2:40][CH2:41][N:42]([c:45]2[n:46][cH:47][cH:48][cH:49][cH:50]2)[CH2:43][CH2:44]1)[CH2:37][CH:38]([CH3:51])[CH3:52].[n:53]1[cH:54][cH:55][cH:56][cH:57][c:58]1[N:59]1[CH2:60][CH2:61][NH:62][CH2:63][CH2:64]1>>[CH3:1][C:2]1([CH3:27])[O:3][C:4](=[O:26])[CH:5]([CH:7]([C:8](=[O:10])[N:39]2[CH2:40][CH2:41][N:42]([c:45]3[n:46][cH:47][cH:48][cH:49][cH:50]3)[CH2:43][CH2:44]2)[CH2:22][CH:23]([CH3:24])[CH3:25])[O:6]1