3-({[2-(Ethoxycarbonyl)ethyl]amino}carbonylamino)benzoic acid → HCID 178472112, compound

HRID 2170096Notes

Reaction equation

HRID 2170096 reaction equation
[CH2:1]([O:3][C:4]([CH2:6][CH2:7][NH:8][C:9](=[O:20])[NH:10][C:11]1[CH:12]=[C:13]([CH:17]=[CH:18][CH:19]=1)[C:14]([OH:16])=O)=[O:5])[CH3:2].Cl.[NH:22]1[C:26]2([CH2:31][CH2:30][NH:29][CH2:28][CH2:27]2)[CH2:25][NH:24]/[C:23]/1=[N:32]\[C:33]([C:35]1[C:40]([NH2:41])=[N:39][C:38]([NH2:42])=[C:37]([Cl:43])[N:36]=1)=[O:34]>>[CH2:1]([O:3][C:4](=[O:5])[CH2:6][CH2:7][NH:8][C:9]([NH:10][C:11]1[CH:19]=[CH:18][CH:17]=[C:13]([C:14]([N:29]2[CH2:30][CH2:31][C:26]3([NH:22]/[C:23](=[N:32]/[C:33]([C:35]4[C:40]([NH2:41])=[N:39][C:38]([NH2:42])=[C:37]([Cl:43])[N:36]=4)=[O:34])/[NH:24][CH2:25]3)[CH2:27][CH2:28]2)=[O:16])[CH:12]=1)=[O:20])[CH3:2]

Participants

3

Reactant 2

HCID 171743633-({[2-(Ethoxycarbonyl)ethyl]amino}carbonylamino)benzoic acidHCID 178479156HCID 178479156, compound

Product 1

HCID 178472112HCID 178472112, compound

Procedure

The title compound was prepared from 3-[3-(2-ethoxycarbonyl-ethyl)-ureido]-benzoic acid (Int. F) and 3,5-diamino-6-chloro-pyrazine-2-carboxylic acid [1,3,8-triaza-spiro[4.5]dec-(2E)-ylidene]-amide hydrochloride using an analogous method to Example 1; LC-MS Rt 0.81 mins; 587.4 and 589.3 [M+H]+, Method 2minLC_v003.

Sources & evidence

ORD record
ord-b3522d40b7d7425ca58ec884c946e775
Source dataset
uspto-grants-2015_06
Patent number
US09050339B2

Reaction notes

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