Water → N-(1-Butyl-4-piperidinyl)-8-methoxy-4-[[4-[[[1-(phenylmethyl)-4-piperidinyl]amino]carbonyl]phenyl]amino]-3-quinolinecarboxamide

HRID 320872Notes

Reaction equation

HRID 320872 reaction equation
[Br:50][CH2:51][CH2:52][CH2:53][CH3:54].[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.[NH2:39][CH:40]1[CH2:41][CH2:42][N:43]([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:44][CH2:45]1.[O:55]1[C:56]2([CH2:57][CH2:58][NH:59][CH2:60][CH2:61]2)[O:62][CH2:63][CH2:64]1.[OH2:65]>>[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:39][CH:40]3[CH2:41][CH2:42][N:43]([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:44][CH2:45]3)[cH:10][n:11][c:12]12

Participants

6

Reactant 5

HCID 962WaterHCID 8002Butyl bromideHCID 674351,4-Dioxa-8-azaspiro(4.5)decaneHCID 122628201-Butylpiperidin-4-amineHCID 152897728-Methoxy-4-[[4-[[[1-(phenylmethyl)-4-piperidinyl]amino]carbonyl]phenyl]amino]-3-quinolinecarboxylic acid

Product 1

HCID 19918423N-(1-Butyl-4-piperidinyl)-8-methoxy-4-[[4-[[[1-(phenylmethyl)-4-piperidinyl]amino]carbonyl]phenyl]amino]-3-quinolinecarboxamide

Sources & evidence

ORD record
ord-8c576181a26d4fc583a70e9014bc4ca3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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