N-Phenethyl-4-piperidinone → N-[1-(2-Phenylethyl)-4-piperidinyl]-8-methoxy-4-[[4-[[[1-(phenylmethyl)-4piperidinyl]amino]carbonyl]phenyl]amino]-3-quinolinecarboxamide

HRID 186500

Reaction equation

HRID 186500 reaction equation
[CH2:39]([CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[N:47]1[CH2:48][CH2:49][CH:50]([NH2:53])[CH2:51][CH2:52]1.[CH2:54]([N:55]1[CH2:56][CH2:57][C:58](=[O:59])[CH2:60][CH2:61]1)[CH2:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]([NH:16][c:17]3[cH:18][cH:19][c:20]([C:23](=[O:24])[NH:25][CH:26]4[CH2:27][CH2:28][N:29]([CH2:32][c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[CH2:30][CH2:31]4)[cH:21][cH:22]3)[c:9]([C:13](=[O:14])[OH:15])[cH:10][n:11][c:12]12>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]([NH:16][c:17]3[cH:18][cH:19][c:20]([C:23](=[O:24])[NH:25][CH:26]4[CH2:27][CH2:28][N:29]([CH2:32][c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[CH2:30][CH2:31]4)[cH:21][cH:22]3)[c:9]([C:13](=[O:15])[NH:53][CH:50]3[CH2:49][CH2:48][N:47]([CH2:39][CH2:40][c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[CH2:52][CH2:51]3)[cH:10][n:11][c:12]12

Participants

4

Reactant 3

HCID 96437N-Phenethyl-4-piperidinoneHCID 107287881-(2-Phenylethyl)piperidin-4-amineHCID 152897728-Methoxy-4-[[4-[[[1-(phenylmethyl)-4-piperidinyl]amino]carbonyl]phenyl]amino]-3-quinolinecarboxylic acid

Product 1

HCID 21850076N-[1-(2-Phenylethyl)-4-piperidinyl]-8-methoxy-4-[[4-[[[1-(phenylmethyl)-4piperidinyl]amino]carbonyl]phenyl]amino]-3-quinolinecarboxamide

Sources & evidence

ORD record
ord-54d011afc99e427190798bb7358bbac6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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