HRID1218239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID76313

1-Naphthoxyacetic acid

C12H10O3

HCID18388359

未命名化合物

HCID178418300

未命名化合物

结构：CC(C)CC(N)C(=O)NC(C=O)CC(=NNC(N)=O)OC(C)(C)C

HCID178446681

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(=O)COc1cccc2ccccc12)C(=O)NC(C=O)CC(=NNC(N)=O)OC(C)(C)C

HCID178446627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9b12238fe674ce79ab9905ea1f7aa92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21]([CH2:22][CH:23]([CH:24]=[O:25])[NH:26][C:27]([CH:28]([NH2:29])[CH2:30][CH:31]([CH3:32])[CH3:33])=[O:34])=[N:35][NH:36][C:37]([NH2:38])=[O:39].[CH2:52]([N:53]=[C:54]=[N:55][CH:56]([NH2:57])[CH2:58][CH:59]([CH3:60])[CH3:61])[CH3:62].[ClH:51].[OH2:40].[OH:41][c:42]1[c:43]2[n:44][n:45][nH:46][c:47]2[cH:48][cH:49][cH:50]1.[c:1]1([O:11][CH2:12][C:13](=[O:14])[OH:15])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([O:11][CH2:12][C:13](=[O:15])[NH:29][CH:28]([C:27]([NH:26][CH:23]([CH2:22][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[N:35][NH:36][C:37]([NH2:38])=[O:39])[CH:24]=[O:25])=[O:34])[CH2:30][CH:31]([CH3:32])[CH3:33])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12