HRID1221784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID95303

3-(4-Pyridinyl)-2-propenoic acid

C8H7NO2

结构：NCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1

HCID23114559

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1ccncc1)NCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1

HCID67102348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1f74acd99314a4bab714de0f671b1bf
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

[CH2:57]([N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66])[CH3:67].[CH3:49][N:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([c:12]2[cH:13][cH:14][c:15]([CH2:18][NH2:19])[cH:16][n:17]2)[c:20]2[c:21]([F:27])[cH:22][cH:23][c:24]([F:26])[cH:25]2)[cH:6][cH:7]1.[Cl:68][CH2:69][Cl:70].[ClH:56].[n:28]1[cH:29][cH:30][c:31]([CH:34]=[CH:35][C:36](=[O:37])[OH:38])[cH:32][cH:33]1.[n:39]1([OH:40])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([c:12]2[cH:13][cH:14][c:15]([CH2:18][NH:19][C:36]([CH:35]=[CH:34][c:31]3[cH:30][cH:29][n:28][cH:33][cH:32]3)=[O:37])[cH:16][n:17]2)[c:20]2[c:21]([F:27])[cH:22][cH:23][c:24]([F:26])[cH:25]2)[cH:6][cH:7]1