HRID85985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66775711

未命名化合物

结构：Cc1cn(-c2ccnc(Nc3cc(C(=O)O)ccc3C)n2)cn1

HCID68851196

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2ccnc(Nc3cc(C(=O)Nc4cc(-n5ccnc5C)cc(C(F)(F)F)c4)ccc3C)n2)cn1

HCID68852427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-596d08331f5443aea50b975ace38bf36
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([NH:11][c:12]2[n:13][cH:14][cH:15][c:16](-[n:18]3[cH:19][n:20][c:21]([CH3:23])[cH:22]3)[n:17]2)[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH3:24][c:25]1[n:26](-[c:30]2[cH:31][c:32]([NH2:40])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]2)[cH:27][cH:28][n:29]1>>[CH3:1][c:2]1[c:3]([NH:11][c:12]2[n:13][cH:14][cH:15][c:16](-[n:18]3[cH:19][n:20][c:21]([CH3:23])[cH:22]3)[n:17]2)[cH:4][c:5]([C:6](=[O:8])[NH:40][c:32]2[cH:31][c:30](-[n:26]3[c:25]([CH3:24])[n:29][cH:28][cH:27]3)[cH:35][c:34]([C:36]([F:37])([F:38])[F:39])[cH:33]2)[cH:9][cH:10]1