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Bicarbonate Ion → N-(1-{2-[3-(2,6-Dimethyl-pyridin-4-yl)-ureido]-ethyl}-piperidin-4-yl)-N-ethyl-4-methoxy-benzenesulfonamide

HRID 320312
Notes
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Reaction equation

HRID 320312 reaction equation
[CH2:1]([CH3:2])[N:3]([S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]1)[CH:15]1[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[Cl:28][CH2:29][CH2:30][NH:31][C:32](=[O:33])[NH:34][c:35]1[cH:36][c:37]([CH3:42])[n:38][c:39]([CH3:41])[cH:40]1.[I-:26].[Na+:25].[Na+:27].[O-:21][C:22]([OH:23])=[O:24]>>[CH2:1]([CH3:2])[N:3]([S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]1)[CH:15]1[CH2:16][CH2:17][N:18]([CH2:29][CH2:30][NH:31][C:32](=[O:33])[NH:34][c:35]2[cH:36][c:37]([CH3:42])[n:38][c:39]([CH3:41])[cH:40]2)[CH2:19][CH2:20]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium Ion2×HCID 8028TetrahydrofuranHCID 30165Iodide IonHCID 588165671-(2-Chloro-ethyl)-3-(2,6-dimethyl-pyridin-4-yl)-ureaHCID 58816568N-Ethyl-4-methoxy-N-piperidin-4-yl-benzenesulfonamide

Product 1

HCID 11294764
N-(1-{2-[3-(2,6-Dimethyl-pyridin-4-yl)-ureido]-ethyl}-piperidin-4-yl)-N-ethyl-4-methoxy-benzenesulfonamide

Sources & evidence

ORD record
ord-9ce8d1cb43444dd2b42627141f1b00ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes