HRID670045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2733389

1-Isocyanato-2-phenoxybenzene

C13H9NO2

HCID22696396

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccccc1Oc1ccccc1)N1N=C(c2cccnc2)CC1c1ccccc1O

HCID24964301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52f7fc8af32547078113240bb0a50aba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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