HRID179353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6924

o-Toluenesulfonamide

C7H9NO2S

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：COc1ccc(Nc2cc(-c3ccccc3)nn2-c2ccccc2)c(C(=O)O)c1

HCID10340046

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2cc(-c3ccccc3)nn2-c2ccccc2)c(C(=O)NS(=O)(=O)c2ccccc2C)c1

HCID58958626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b1b8889378447bda6e8ea6b5a84b4dc
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

[CH3:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:62][N:63]([c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1)[CH3:70].[Cl:59][CH2:60][Cl:61].[OH2:71].[c:1]1(-[n:7]2[n:8][c:9](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:10][c:11]2[NH:12][c:13]2[c:14]([C:15](=[O:16])[OH:17])[cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:30]1([CH3:40])[c:31]([S:36](=[O:37])(=[O:38])[NH2:39])[cH:32][cH:33][cH:34][cH:35]1>>[c:1]1(-[n:7]2[n:8][c:9](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:10][c:11]2[NH:12][c:13]2[c:14]([C:15](=[O:16])[NH:39][S:36]([c:31]3[c:30]([CH3:40])[cH:35][cH:34][cH:33][cH:32]3)(=[O:37])=[O:38])[cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1