HRID564258

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：CN(C)c1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)O)c2)cc1

HCID66646380

未命名化合物

2 次

PRODUCTS

生成物

结构：CN(C)c1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)c2)cc1

HCID86613979

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-(4-dimethylamino-benzenesulfonyl)-1H-pyrrol-3-yl)-acrylic acid (compound B3) (0.150 g), HOBt?H2O (0.072 g), triethylamine (259 μl), DMF (10 ml), EDC?HCl (0.269 g), N—BOC-1,2-phenylenediamine (0.049 g). Reaction conditions: room temperature, 1 hour; room temperature, 21 hours.

WORKUP

后处理

customReaction conditions
customroom temperature, 1 hour
customroom temperature, 21 hours

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37bf23e813454d0b9a797d338b62523c
来源数据集: uspto-grants-2011_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08067615B2
来源说明: uspto-grants-2011_11

反应 SMILES

[CH3:1][N:2]([CH3:22])[C:3]1[CH:8]=[CH:7][C:6]([S:9]([N:12]2[CH:16]=[CH:15][C:14](/[CH:17]=[CH:18]/[C:19](O)=[O:20])=[CH:13]2)(=[O:11])=[O:10])=[CH:5][CH:4]=1.C1C=CC2N(O)N=NC=2C=1.Cl.[C:34]([NH:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][C:43]=1[NH2:48])([O:36][C:37]([CH3:40])([CH3:39])[CH3:38])=[O:35]>C(Cl)CCl.CN(C=O)C.C(N(CC)CC)C.O>[C:37]([O:36][C:34](=[O:35])[NH:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][C:43]=1[NH:48][C:19](=[O:20])/[CH:18]=[CH:17]/[C:14]1[CH:15]=[CH:16][N:12]([S:9]([C:6]2[CH:5]=[CH:4][C:3]([N:2]([CH3:1])[CH3:22])=[CH:8][CH:7]=2)(=[O:11])=[O:10])[CH:13]=1)([CH3:40])([CH3:39])[CH3:38]