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Ammonium → 2-(1,3-Benzothiazol-2-ylamino)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid

HRID 160407
Notes
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Reaction equation

HRID 160407 reaction equation
[CH3:41][OH:42].[CH3:45][CH2:46][OH:47].[Cl:38][CH2:39][Cl:40].[NH4+:44].[OH-:43].[s:1]1[c:2]([NH:10][CH:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][c:23]3[n:24][c:25]4[c:30]([cH:31][cH:32]3)[CH2:29][CH2:28][CH2:27][NH:26]4)[cH:17][cH:18]2)[C:33](=[O:34])[O:35][CH2:36][CH3:37])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([NH:10][CH:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][c:23]3[n:24][c:25]4[c:30]([cH:31][cH:32]3)[CH2:29][CH2:28][CH2:27][NH:26]4)[cH:17][cH:18]2)[C:33](=[O:34])[OH:35])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 223AmmoniumHCID 702EthanolHCID 887MethanolHCID 961HydroxideHCID 6344DichloromethaneHCID 22599464Ethyl 2-(1,3-benzothiazol-2-ylamino)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate

Product 1

HCID 10163333
2-(1,3-Benzothiazol-2-ylamino)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid

Sources & evidence

ORD record
ord-4a9c293a19ba4d11a5c37d5ca36bf718
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes