HRID96285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID702

Ethanol

C2H6O

结构：COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(Cc4ccccc4)c4c3CCCC4)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1

HCID10604585

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4c3CCCC4)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1

HCID10817241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e42c127859434f48bda60addb2cbc0f8
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

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