HRID166075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75377

alpha,alpha,alpha-4-Tetrafluoro-m-toluidine

C7H5F4N

结构：CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)nccc3c2)ncn1

HCID67405301

未命名化合物

结构：CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)nccc3c2)ncn1

HCID67408291

未命名化合物

PRODUCTS

生成物

结构：Nc1cc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)nccc3c2)ncn1

HCID67407269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c26db1331e39471c8a1bf01996cf9369
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

[F:1][C:2]([c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[c:12]2[n:13][cH:14][cH:15][c:16]3[cH:17][c:18]([O:22][c:23]4[n:24][cH:25][n:26][c:27]([NH:29][C:30](=[O:31])[CH3:32])[cH:28]4)[cH:19][cH:20][c:21]23)[cH:6][cH:7][cH:8]1)([F:33])[F:34].[F:35][c:36]1[cH:37][cH:38][c:39]([NH:40][C:41]([c:42]2[c:43]3[c:44]([cH:45][c:46]([O:47][c:48]4[cH:49][c:50]([NH:51][C:52](=[O:53])[CH3:54])[n:55][cH:56][n:57]4)[cH:58][cH:59]3)[cH:60][cH:61][n:62]2)=[O:63])[cH:64][c:65]1[C:66]([F:67])([F:68])[F:69].[F:70][c:71]1[cH:72][cH:73][c:74]([NH2:75])[cH:76][c:77]1[C:78]([F:79])([F:80])[F:81]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[c:12]2[n:13][cH:14][cH:15][c:16]3[cH:17][c:18]([O:22][c:23]4[n:24][cH:25][n:26][c:27]([NH2:29])[cH:28]4)[cH:19][cH:20][c:21]23)[cH:6][cH:7][cH:8]1)([F:33])[F:34]