HRID682063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID9483

3-(Trifluoromethyl)phenyl isocyanate

C8H4F3NO

结构：COc1cc2ncnc(Nc3nc4ccc(N)cc4s3)c2cc1OC

HCID86248039

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3nc4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4s3)c2cc1OC

HCID23132506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e463414ba28f4b5197a79f12a00b0e25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:14][O:15][c:16]1[cH:17][c:18]2[c:19]([NH:28][c:29]3[s:30][c:31]4[c:32]([n:33]3)[cH:34][cH:35][c:36]([NH2:38])[cH:37]4)[n:20][cH:21][n:22][c:23]2[cH:24][c:25]1[O:26][CH3:27].[F:1][C:2]([c:3]1[cH:4][c:5]([N:9]=[C:10]=[O:11])[cH:6][cH:7][cH:8]1)([F:12])[F:13].[OH2:39]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[NH:38][c:36]2[cH:35][cH:34][c:32]3[c:31]([s:30][c:29]([NH:28][c:19]4[c:18]5[cH:17][c:16]([O:15][CH3:14])[c:25]([O:26][CH3:27])[cH:24][c:23]5[n:22][cH:21][n:20]4)[n:33]3)[cH:37]2)[cH:6][cH:7][cH:8]1)([F:12])[F:13]