HRID1180911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)OB(c2ccnc3c2cc(C=O)n3S(=O)(=O)c2ccccc2)OC1(C)C

HCID46236899

1-(Phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxaldehyde

C20H21BN2O5S

结构：CCn1cc(Br)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1

HCID68997560

N-[4-(4-Bromo-1-ethyl-1H-pyrazol-3-yl)phenyl]-N′-phenylurea

C18H17BrN4O

PRODUCTS

生成物

结构：CCn1cc(-c2ccnc3c2cc(C=O)n3S(=O)(=O)c2ccccc2)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1

HCID46236618

未命名化合物

PROCEDURE

实验过程

Following the procedure described in Intermediate 100 with N-[4-(4-bromo-1-ethyl-1H-pyrazol-3-yl)phenyl]-N′-phenylurea and 1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde provided the title compound. ESMS [M+H]+: 591.4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fe8d2f3e7174a5dabee4edc7e241e4b
来源数据集: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07282588B2
来源说明: uspto-grants-2007_10

反应 SMILES

Br[C:2]1[C:3]([C:9]2[CH:14]=[CH:13][C:12]([NH:15][C:16]([NH:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)=[O:17])=[CH:11][CH:10]=2)=[N:4][N:5]([CH2:7][CH3:8])[CH:6]=1.[C:25]1([S:31]([N:34]2[C:38]3=[N:39][CH:40]=[CH:41][C:42](B4OC(C)(C)C(C)(C)O4)=[C:37]3[CH:36]=[C:35]2[CH:52]=[O:53])(=[O:33])=[O:32])[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1>>[CH:52]([C:35]1[N:34]([S:31]([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)(=[O:32])=[O:33])[C:38]2=[N:39][CH:40]=[CH:41][C:42]([C:2]3[C:3]([C:9]4[CH:14]=[CH:13][C:12]([NH:15][C:16]([NH:18][C:19]5[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=5)=[O:17])=[CH:11][CH:10]=4)=[N:4][N:5]([CH2:7][CH3:8])[CH:6]=3)=[C:37]2[CH:36]=1)=[O:53]