Acetic Acid → 1-[7-Chloro-3-(3,5-dimethylphenyl)-2-oxo-4-(2-piperidin-2-yl-ethoxy)-1,2-dihydroquinolin-6-yl]-3-ethylurea

HRID 143540Notes

Reaction equation

HRID 143540 reaction equation
[BrH:46].[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH:12]([CH2:17][CH2:18][O:19][c:20]2[c:21](-[c:38]3[cH:39][c:40]([CH3:45])[cH:41][c:42]([CH3:44])[cH:43]3)[c:22](=[O:37])[nH:23][c:24]3[cH:25][c:26]([Cl:36])[c:27]([NH:30][C:31](=[O:32])[NH:33][CH2:34][CH3:35])[cH:28][c:29]23)[CH2:13][CH2:14][CH2:15][CH2:16]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:47][C:48](=[O:49])[OH:50]>>[NH:11]1[CH:12]([CH2:17][CH2:18][O:19][c:20]2[c:21](-[c:38]3[cH:39][c:40]([CH3:45])[cH:41][c:42]([CH3:44])[cH:43]3)[c:22](=[O:37])[nH:23][c:24]3[cH:25][c:26]([Cl:36])[c:27]([NH:30][C:31](=[O:32])[NH:33][CH2:34][CH3:35])[cH:28][c:29]23)[CH2:13][CH2:14][CH2:15][CH2:16]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 538466182-{2-[7-Chloro-3-(3,5-dimethylphenyl)-6-(3-ethylureido)-2-oxo-1,2-dihydroquinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid benzyl ester

Product 1

HCID 98920381-[7-Chloro-3-(3,5-dimethylphenyl)-2-oxo-4-(2-piperidin-2-yl-ethoxy)-1,2-dihydroquinolin-6-yl]-3-ethylurea

Sources & evidence

ORD record
ord-cb24d0f403b74caa98ded959561d7bb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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