HRID178088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15016080

2-(1H-Imidazol-2-yl)ethan-1-ol

C5H8N2O

结构：CCNC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCO)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1

HCID68893898

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCn2ccnc2CCO)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1

HCID57794259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d04dc0e2c974618aef4c2254f3edec8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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