HRID162619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CCn1c(C(=O)Nc2ccc(N3CCN(C(=O)C4CCC(C(=O)OCc5ccccc5)CC4)CC3)nc2)cc2c(OC)cccc21

HCID46223951

trans-4-(4-{5-[(1-ethyl-4-methoxy-1H-indole-2-carbonyl)-amino]-pyridin-2-yl}-piperazine-1-carbonyl)-cyclohexanecarboxylic acid benzyl ester

C36H41N5O5

PRODUCTS

生成物

结构：CCn1c(C(=O)Nc2ccc(N3CCN(C(=O)C4CCC(C(=O)O)CC4)CC3)nc2)cc2c(OC)cccc21

HCID46223233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-341193eca9f843179143ba55b2a7ac0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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