HRID2339774

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

HCID69695

Benzene, 1-isocyanato-2-methoxy-

C8H7NO2

结构：COc1cc2c(Oc3ccc(N)c(C)c3C)ccnc2cc1OCc1ccccc1

HCID22667150

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1NC(=O)Nc1ccc(Oc2ccnc3cc(OCc4ccccc4)c(OC)cc23)c(C)c1C

HCID22667072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f80b94c9c6dc4f0eaf88d9a24d784748
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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