HRID118349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID239

beta-Alanine

C3H7NO2

结构：CCCCCCCCON1C(C)(C)CC(CCCCNc2nc(Cl)nc(NCCCCC3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C

HCID54313625

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCON1C(C)(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)nc(NCCC(=O)O)n2)CC1(C)C

HCID53747776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2672694d4d90465097e36e304f6abd21
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

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