HRID1120379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6212

Chloroform

CHCl3

HCID8082

Piperidine

C5H11N

结构：CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)c1ccc(F)cc1-c1cccc2cc(-c3nc(NCCn4ccnn4)ncc3F)sc12

HCID66999424

未命名化合物

PRODUCTS

生成物

结构：CC(N)C(=O)NC(C)c1ccc(F)cc1-c1cccc2cc(-c3nc(NCCn4ccnn4)ncc3F)sc12

HCID178465328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b7c046393b445c39739969e2780def1
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

[CH2:57]1[CH2:58][CH2:59][NH:60][CH2:61][CH2:62]1.[CH:63]([OH:64])([CH3:65])[CH3:66].[CH:67]([Cl:68])([Cl:69])[Cl:70].[cH:1]1[c:2]2[c:14]([cH:15][cH:16][cH:56]1)-[c:9]1[c:8]([cH:13][cH:12][cH:11][cH:10]1)[CH:3]2[CH2:4][O:5][C:6](=[O:7])[NH:17][CH:18]([CH3:19])[C:20]([NH:21][CH:22]([CH3:23])[c:24]1[c:25](-[c:31]2[cH:32][cH:33][cH:34][c:35]3[c:36]2[s:37][c:38](-[c:40]2[n:41][c:42]([NH:47][CH2:48][CH2:49][n:50]4[n:51][n:52][cH:53][cH:54]4)[n:43][cH:44][c:45]2[F:46])[cH:39]3)[cH:26][c:27]([F:30])[cH:28][cH:29]1)=[O:55]>>[NH2:17][CH:18]([CH3:19])[C:20]([NH:21][CH:22]([CH3:23])[c:24]1[c:25](-[c:31]2[cH:32][cH:33][cH:34][c:35]3[c:36]2[s:37][c:38](-[c:40]2[n:41][c:42]([NH:47][CH2:48][CH2:49][n:50]4[n:51][n:52][cH:53][cH:54]4)[n:43][cH:44][c:45]2[F:46])[cH:39]3)[cH:26][c:27]([F:30])[cH:28][cH:29]1)=[O:55]