Acetic Acid → (3-(4-(2-(Benzhydrylamino)-3-chloropyridin-4-yloxy)-3-fluorophenylcarbamoyl)-5-(4-fluorophenyl)-4-oxopyridin-1(4H)-yl)methyl 1-methylpiperidine-4-carboxylate

HRID 2123629Notes

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 712Formaldehyde

HCID 6342Acetonitrile

HCID 66772249(3-(4-(2-(Benzhydrylamino)-3-chloropyridin-4-yloxy)-3-fluorophenylcarbamoyl)-5-(4-fluorophenyl)-4-oxopyridin-1(4H)-yl)methyl piperidine-4-carboxylate

Product 1

HCID 66772474(3-(4-(2-(Benzhydrylamino)-3-chloropyridin-4-yloxy)-3-fluorophenylcarbamoyl)-5-(4-fluorophenyl)-4-oxopyridin-1(4H)-yl)methyl 1-methylpiperidine-4-carboxylate

Sources & evidence

ORD record: ord-f51a806a6473460f89e0b885b40ea904
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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