HRID192440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID8110

Butyl isocyanate

C5H9NO

结构：CC(C)C(CCN)CC(O)C(CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

HCID178444810

未命名化合物

PRODUCTS

生成物

结构：CCCCNC(=O)NCCC(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C

HCID178449578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ed7a7150a9946468e945f57539f3596
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

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