HRID147043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COCc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c(N)ncnn2c1Br

HCID57955164

未命名化合物

结构：Nc1ncnn2c(Br)c(C(=O)NCC(F)(F)F)c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12

HCID57955304

未命名化合物

PRODUCTS

生成物

结构：COCc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c(N)ncnn2c1C=O

HCID57955296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56a7eab38bc24afc8f272d924c6b2cc8
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

[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:15]1[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[NH:24][c:25]3[c:26]([F:35])[cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[cH:19][cH:20]1)[c:9]([CH2:12][O:13][CH3:14])[c:10]2[Br:11].[NH2:36][c:37]1[c:38]2[c:39](-[c:40]3[cH:41][cH:42][c:43]([NH:44][C:45]([NH:46][c:49]4[cH:50][c:51]([C:52]([F:53])([F:54])[F:55])[cH:56][cH:57][c:58]4[F:59])=[O:60])[cH:61][cH:62]3)[c:63]([C:47](=[O:48])[NH:64][CH2:65][C:66]([F:67])([F:68])[F:69])[c:70]([Br:71])[n:72]2[n:73][cH:74][n:75]1>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:15]1[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[NH:24][c:25]3[c:26]([F:35])[cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[cH:19][cH:20]1)[c:9]([CH2:12][O:13][CH3:14])[c:10]2[CH:47]=[O:48]