HRID300842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1003

Dihydrogen phosphate

H2O4P-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID555619

Methyl phenylsulfonyl acetate

C9H10O4S

HCID5062348

未命名化合物

结构：CCCCC(CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)OC(=O)N(c4ccccc4)c4ccccc4)cc3OC)c2c1

HCID14753011

未命名化合物

PRODUCTS

生成物

结构：CCCCC(CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)C(C(=O)OC)S(=O)(=O)c4ccccc4)cc3OC)c2c1

HCID14753016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29afbcfd608c4fc99eb729429623b384
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:75]1[O:76][CH2:77][CH2:78][CH2:79]1.[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[K+:69].[Li+:8].[OH:70][P:71](=[O:72])([O-:73])[OH:74].[c:23]1([N:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[C:31]([O:32][C:33]([c:34]2[cH:35][c:36]([O:60][CH3:61])[c:37]([CH2:40][n:41]3[cH:42][cH:43][c:44]4[cH:45][cH:46][c:47]([NH:50][C:51]([CH:52]([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH3:58])=[O:59])[cH:48][c:49]34)[cH:38][cH:39]2)=[O:62])=[O:63])[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:9]1([S:15](=[O:16])(=[O:17])[CH2:18][C:19](=[O:20])[O:21][CH3:22])[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[c:9]1([S:15](=[O:16])(=[O:17])[CH:18]([C:19](=[O:20])[O:21][CH3:22])[C:33](=[O:32])[c:34]2[cH:35][c:36]([O:60][CH3:61])[c:37]([CH2:40][n:41]3[cH:42][cH:43][c:44]4[cH:45][cH:46][c:47]([NH:50][C:51]([CH:52]([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH3:58])=[O:59])[cH:48][c:49]34)[cH:38][cH:39]2)[cH:10][cH:11][cH:12][cH:13][cH:14]1