4-Methylmorpholine → (4-{[1-(2-Chloro-benzenesulfonyl)-4-(2-methoxy-ethyl)-piperidine-4-carbonyl]-amino}-phenyl)-acetic acid ethyl ester

HRID 2148403Notes

Reaction equation

HRID 2148403 reaction equation
[CH2:48]([CH3:49])[O:50][C:51]([CH2:52][c:53]1[cH:54][cH:55][c:56]([NH2:59])[cH:57][cH:58]1)=[O:60].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:61][N:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[Cl:1][c:2]1[c:3]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][C:14]([C:17](=[O:18])[OH:19])([CH2:20][CH2:21][O:22][CH3:23])[CH2:15][CH2:16]2)[cH:4][cH:5][cH:6][cH:7]1.[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[Cl:1][c:2]1[c:3]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][C:14]([C:17](=[O:18])[NH:59][c:56]3[cH:55][cH:54][c:53]([CH2:52][C:51]([O:50][CH2:48][CH3:49])=[O:60])[cH:58][cH:57]3)([CH2:20][CH2:21][O:22][CH3:23])[CH2:15][CH2:16]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 225219p-Aminophenylacetic acid ethyl esterHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595780921-(2-Chloro-benzenesulfonyl)-4-(2-methoxy-ethyl)-piperidine-4-carboxylic acid

Product 1

HCID 59578103(4-{[1-(2-Chloro-benzenesulfonyl)-4-(2-methoxy-ethyl)-piperidine-4-carbonyl]-amino}-phenyl)-acetic acid ethyl ester

Sources & evidence

ORD record
ord-47b4997e854f4e73b036ec02dfc3997c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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