HRID94676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67240686

未命名化合物

结构：O=Cc1ccc2c(c1)c(I)nn2Cc1ccc(C(F)(F)F)cc1C(F)(F)F

HCID86654585

未命名化合物

PRODUCTS

生成物

结构：O=C1N=C(N2CCOC(CO)C2)SC1=Cc1ccc2c(c1)c(I)nn2Cc1ccc(C(F)(F)F)cc1C(F)(F)F

HCID76756427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e15d5a4e77f743f98d3be6ac271c3556
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

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