HRID159783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID119047

Phenoxide

C6H5O-

结构：O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)n[nH]4)c4cc(I)ccc4n3)ccc12

HCID178518848

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)n[nH]4)c4cc(-c5ccccc5)ccc4n3)ccc12

HCID178518847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f7a3e32f72b4930929f40ae26609e55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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