HRID953394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID13568448

3,5-Dichloro-1,2-benzoxazole

C7H3Cl2NO

结构：Cc1ncc(C(CO)NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1

HCID23368383

未命名化合物

PRODUCTS

生成物

结构：Cc1ncc(C(COc2noc3ccc(Cl)cc23)NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1

HCID23368516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03dd7baa6bcd4dd69c1eaabba50bad16
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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