HRID305600

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

HCID18369

Methyl phenyl sulfone

C7H8O2S

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

HCID14753011

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

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

HCID14753070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1496dc2be644eee9b749f0e80122656
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

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