HRID683548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)C)cc1C(C)C

HCID5311451

2-[[[5-(2,6-Dimethoxyphenyl)-1-[4-[[[3-(dimethylamino)propyl]methylamino]carbonyl]-2-(1-methylethyl)phenyl]-1H-pyrazol-3-yl]carbonyl]amino]tricyclo[3.3.1.13,7]decane-2-carboxylic acid

C39H51N5O6

HCID178512957

未命名化合物

PRODUCTS

生成物

HCID5311451

2-[[[5-(2,6-Dimethoxyphenyl)-1-[4-[[[3-(dimethylamino)propyl]methylamino]carbonyl]-2-(1-methylethyl)phenyl]-1H-pyrazol-3-yl]carbonyl]amino]tricyclo[3.3.1.13,7]decane-2-carboxylic acid

C39H51N5O6

HCID178512957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8a904f5ed084bfb996c502e5766a710
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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