HRID2325224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID16028

Tetrabutylammonium

C16H36N+

反应SMILES：O=C(c1cccc(-c2cnc3[nH]cc(I)c3c2)c1)N1CCOCC1

HCID59699903

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(S(=O)(=O)n2cc(I)c3cc(-c4cccc(C(=O)N5CCOCC5)c4)cnc32)cc1

HCID59699851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-96bd32792b0c4ae99a6695911ba70268
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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