HRID213845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID3732841

2-(Methylsulfonyl)acetic acid

C3H6O4S

结构：NCCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

HCID22017992

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)CC(=O)NCCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

HCID22337213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f8b0d46031d412f92bc34c67fd1af58
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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