HRID155033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6422

未命名化合物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID58975113

未命名化合物

结构：O=C(O)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1

HCID58975141

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CN(c2ccc(F)cc2)C1)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1

HCID58975228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8eba0184d1941a9b6a6db060958132d
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

[C:8]([O:9][C:13]([NH:14][CH2:15][CH:16]1[CH2:17][N:18]([c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:19]1)=[O:27])([CH3:10])([CH3:11])[CH3:12].[CH3:56][N:57]([CH3:58])[CH2:59][CH2:60][CH2:61][N:62]=[C:63]=[N:64][CH2:65][CH3:66].[CH3:67][N:68]([CH3:69])[c:70]1[cH:71][cH:72][n:73][cH:74][cH:75]1.[ClH:55].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[c:28]1(-[c:34]2[cH:35][n:36]([S:43](=[O:44])(=[O:45])[c:46]3[cH:47][cH:48][c:49]([C:50]([OH:51])=[O:52])[cH:53][cH:54]3)[c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]23)[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[C:13]([NH:14][CH2:15][CH:16]1[CH2:17][N:18]([c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:19]1)(=[O:27])[c:49]1[cH:48][cH:47][c:46]([S:43]([n:36]2[cH:35][c:34](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:42]3[c:37]2[cH:38][cH:39][cH:40][cH:41]3)(=[O:44])=[O:45])[cH:54][cH:53]1