HRID91126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID229097

hydroxy[bis(4-methylphenyl)]acetic acid

C16H16O3

结构：CC(C)C(=O)Nc1cc(C2CCN(CCCN)CC2)c(F)cc1F

HCID16757466

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(O)(C(=O)NCCCN2CCC(c3cc(NC(=O)C(C)C)c(F)cc3F)CC2)c2ccc(C)cc2)cc1

HCID18446853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f028c63f87d4ba7ac63be6bff95b39a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[NH2:20][CH2:21][CH2:22][CH2:23][N:24]1[CH2:25][CH2:26][CH:27]([c:30]2[c:31]([F:43])[cH:32][c:33]([F:42])[c:34]([NH:36][C:37]([CH:38]([CH3:39])[CH3:40])=[O:41])[cH:35]2)[CH2:28][CH2:29]1.[OH:1][C:2]([C:3](=[O:4])[OH:5])([c:6]1[cH:7][cH:8][c:9]([CH3:12])[cH:10][cH:11]1)[c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1>>[OH:1][C:2]([C:3](=[O:4])[NH:20][CH2:21][CH2:22][CH2:23][N:24]1[CH2:25][CH2:26][CH:27]([c:30]2[c:31]([F:43])[cH:32][c:33]([F:42])[c:34]([NH:36][C:37]([CH:38]([CH3:39])[CH3:40])=[O:41])[cH:35]2)[CH2:28][CH2:29]1)([c:6]1[cH:7][cH:8][c:9]([CH3:12])[cH:10][cH:11]1)[c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1