Hydrochloric Acid → 3-Amino-5-chloro-6-[(4-fluoro-benzylcarbamoyl)-methoxy]-4-methyl-thieno[2,3-b]pyridine-2-carboxylic acid cyclopropylamide

HRID 2336545Notes

Reaction equation

HRID 2336545 reaction equation
[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[ClH:44].[F:56][c:57]1[cH:58][cH:59][c:60]([CH2:61][NH2:62])[cH:63][cH:64]1.[NH2:1][c:2]1[c:3]([C:18]([NH:19][CH:20]2[CH2:21][CH2:22]2)=[O:23])[s:4][c:5]2[n:6][c:7]([O:13][CH2:14][C:15](=[O:16])[OH:17])[c:8]([Cl:12])[c:9]([CH3:11])[c:10]12.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:24].[OH:25][n:26]1[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[NH2:1][c:2]1[c:3]([C:18]([NH:19][CH:20]2[CH2:21][CH2:22]2)=[O:23])[s:4][c:5]2[n:6][c:7]([O:13][CH2:14][C:15](=[O:17])[NH:62][CH2:61][c:60]3[cH:59][cH:58][c:57]([F:56])[cH:64][cH:63]3)[c:8]([Cl:12])[c:9]([CH3:11])[c:10]12

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 673264-FluorobenzylamineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 68436813(3-Amino-5-chloro-2-cyclopropylcarbamoyl-4-methyl-thieno[2,3-b]pyridin-6-yloxy)-acetic acid

Product 1

HCID 576644083-Amino-5-chloro-6-[(4-fluoro-benzylcarbamoyl)-methoxy]-4-methyl-thieno[2,3-b]pyridine-2-carboxylic acid cyclopropylamide

Sources & evidence

ORD record
ord-f959af66a339409987d7256aedb49ff3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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