HRID1201777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3272772

未命名化合物

结构：Nc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID11234297

未命名化合物

PRODUCTS

生成物

结构：O=C1NC(=O)C(=Cc2ccc(CNc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)cc2)S1

HCID90891932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a8ed9777e254e1dae26272fba0c47a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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