HRID174220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4241546

2-Chloro-4-fluoro-5-sulfamoylbenzoic acid

C7H5ClFNO4S

结构：Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5ccccc5)CCNCC4)c3F)s2)c1

HCID25032856

未命名化合物

PRODUCTS

生成物

结构：Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5ccccc5)CCN(C(=O)c5cc(S(N)(=O)=O)c(F)cc5Cl)CC4)c3F)s2)c1

HCID59321444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bed0600be234aca904229a72ab74933
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

[Cl:38][c:39]1[c:40]([C:41](=[O:42])[OH:43])[cH:44][c:45]([S:49]([NH2:50])(=[O:51])=[O:52])[c:46]([F:48])[cH:47]1.[F:1][c:2]1[c:3]([C:22](=[O:23])[NH:24][CH2:25][C:26]2([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[n:4][cH:5][cH:6][c:7]1[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([CH3:21])[cH:20]2)[s:13]1>>[F:1][c:2]1[c:3]([C:22](=[O:23])[NH:24][CH2:25][C:26]2([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:27][CH2:28][N:29]([C:41]([c:40]3[c:39]([Cl:38])[cH:47][c:46]([F:48])[c:45]([S:49]([NH2:50])(=[O:51])=[O:52])[cH:44]3)=[O:42])[CH2:30][CH2:31]2)[n:4][cH:5][cH:6][c:7]1[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([CH3:21])[cH:20]2)[s:13]1