Hydrochloric Acid → 4-[1-{5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-pyrrol-2-yl}-2-(tetrahydro-2H-pyran-4-yl)ethyl]-N-methoxy-N-methylbenzamide

HRID 2315032Notes

Reaction equation

HRID 2315032 reaction equation
[CH2:31]([N:32]=[C:33]=[N:34][CH2:35][CH2:36][CH2:37][N:38]([CH3:39])[CH3:40])[CH3:41].[CH3:52][N:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[CH3:60][O:61][NH:62][CH3:63].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[ClH:30].[ClH:59].[OH:1][CH2:2][c:3]1[cH:4][n:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]3)[nH:12]2)[s:7]1.[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[OH:1][CH2:2][c:3]1[cH:4][n:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24]([C:25](=[O:27])[N:62]([O:61][CH3:60])[CH3:63])[cH:28][cH:29]3)[nH:12]2)[s:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 14232N,O-DimethylhydroxylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 593312214-[1-{5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-pyrrol-2-yl}-2-(tetrahydro-2H-pyran-4-yl)ethyl]benzoic acid

Product 1

HCID 593315864-[1-{5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-pyrrol-2-yl}-2-(tetrahydro-2H-pyran-4-yl)ethyl]-N-methoxy-N-methylbenzamide

Sources & evidence

ORD record
ord-e756f60a97c04ababbbba0b0bdba2a80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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