HRID1176734

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID676311

Tert-butyl (2-aminophenyl)carbamate

C11H16N2O2

结构：O=C(O)/C=C/c1ccn(S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1

HCID66646147

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)/C=C/c1ccn(S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1

HCID86613978

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID11

1,2-Dichloroethane

C2H4Cl2

溶剂HCID962

Water

H2O

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

溶剂HCID8471

Triethylamine

C6H15N

PROCEDURE

实验过程

Starting materials: (E)-3-[1-(biphenyl-4-sulfonyl)-1H-pyrrol-3-yl)-acrylic acid (compound B2) (0.300 g), HOBt?H2O (0.130 g), triethylamine (668 μl), DMF (20 ml), EDC?HCl (0.508 g), N—BOC-1,2-phenylenediamine (0.176 g). Reaction conditions: room temperature, 1 hour; room temperature, 17 hours.

WORKUP

后处理

customReaction conditions
customroom temperature, 1 hour
customroom temperature, 17 hours

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc8e92f3971d47e4a8a9bbcbc5d469e8
来源数据集: uspto-grants-2010_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07842820B2
来源说明: uspto-grants-2010_11

反应 SMILES

[C:1]1([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[CH:6]=[CH:5][C:4]([S:7]([N:10]2[CH:14]=[CH:13][C:12](/[CH:15]=[CH:16]/[C:17](O)=[O:18])=[CH:11]2)(=[O:9])=[O:8])=[CH:3][CH:2]=1.C1C=CC2N(O)N=NC=2C=1.Cl.[C:37]([NH:44][C:45]1[CH:50]=[CH:49][CH:48]=[CH:47][C:46]=1[NH2:51])([O:39][C:40]([CH3:43])([CH3:42])[CH3:41])=[O:38]>C(Cl)CCl.CN(C=O)C.C(N(CC)CC)C.O>[C:40]([O:39][C:37](=[O:38])[NH:44][C:45]1[CH:50]=[CH:49][CH:48]=[CH:47][C:46]=1[NH:51][C:17](=[O:18])/[CH:16]=[CH:15]/[C:12]1[CH:13]=[CH:14][N:10]([S:7]([C:4]2[CH:5]=[CH:6][C:1]([C:20]3[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=3)=[CH:2][CH:3]=2)(=[O:9])=[O:8])[CH:11]=1)([CH3:43])([CH3:42])[CH3:41]