Water → 1-m-tolyl-1H-[1,2,3]triazole-4-carboxylic acid {2-[4-(2-chloro-5-fluoro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

HRID 1551618Notes

Reaction equation

HRID 1551618 reaction equation
[CH3:25][c:26]1[cH:27][c:28]([NH2:32])[cH:29][cH:30][cH:31]1.[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[NH2:54][CH2:55][C:56](=[O:57])[N:58]1[CH2:59][CH2:60][CH:61]([O:64][c:65]2[c:66]([Cl:72])[cH:67][cH:68][c:69]([F:71])[cH:70]2)[CH2:62][CH2:63]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:78].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[c:10]1([CH3:24])[cH:11][c:12](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:22])[OH:23])[cH:20]2)[cH:13][cH:14][cH:15]1>>[c:10]1([CH3:24])[cH:11][c:12](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:23])[NH:54][CH2:55][C:56](=[O:57])[N:58]3[CH2:59][CH2:60][CH:61]([O:64][c:65]4[c:66]([Cl:72])[cH:67][cH:68][c:69]([F:71])[cH:70]4)[CH2:62][CH2:63]3)[cH:20]2)[cH:13][cH:14][cH:15]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 7934m-ToluidineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 287432311-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acidHCID 665915222-Amino-1-[4-(2-chloro-5-fluoro-phenoxy)-piperidin-1-yl]-ethanone

Product 1

HCID 578743761-m-tolyl-1H-[1,2,3]triazole-4-carboxylic acid {2-[4-(2-chloro-5-fluoro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-846a821f3f69442185505f8061059071
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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