HRID92194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2776462

6-(Morpholin-4-yl)pyridine-3-sulfonyl chloride

C9H11ClN2O3S

结构：O=C1c2c(c(O)c3cccnc3c2OC(c2ccccc2)c2ccccc2)CN1Cc1ccc(F)cc1

HCID136158589

未命名化合物

PRODUCTS

生成物

结构：O=C1c2c(c(OS(=O)(=O)c3ccc(N4CCOCC4)nc3)c3cccnc3c2OC(c2ccccc2)c2ccccc2)CN1Cc1ccc(F)cc1

HCID58928930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37cb21f998154699ab802a7bdd24d6ed
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

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