HRID946088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID22329709

未命名化合物

结构：CC(C)(C)OC(=O)Nc1nc(-c2ccc(C(=O)O)cc2)c[nH]1

HCID178452976

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1nc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Br)ccc5c4)CC3)cc2)c[nH]1

HCID178452975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4fbe65f1393e4de996d1763a12dd57a6
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

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