HRID140100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID311869

3-Isoquinolinamine

C9H8N2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1ccccc1NCc1ccnc(NC(=O)N2CCOCC2)c1

HCID57798919

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc2ccccc2cn1)c1ccccc1NCc1ccnc(NC(=O)N2CCOCC2)c1

HCID11612737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1869a9d2e184102bce1f6b941b09e8c
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

[CH3:12][O:13][C:14]([c:15]1[c:16]([NH:21][CH2:22][c:23]2[cH:24][c:25]([NH:29][C:30](=[O:31])[N:32]3[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[n:26][cH:27][cH:28]2)[cH:17][cH:18][cH:19][cH:20]1)=[O:38].[CH3:39][Al:40]([CH3:41])[CH3:42].[NH2:1][c:2]1[n:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[cH:11]1.[Na+:43].[OH:44][C:45](=[O:46])[O-:47]>>[NH:1]([c:2]1[n:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[cH:11]1)[C:14](=[O:13])[c:15]1[c:16]([NH:21][CH2:22][c:23]2[cH:24][c:25]([NH:29][C:30](=[O:31])[N:32]3[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[n:26][cH:27][cH:28]2)[cH:17][cH:18][cH:19][cH:20]1