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Hydrochloric Acid → Methyl 5-[{(4-[2-(3-{[(2-bromoethyl)amino]carbonyl}phenyl)ethyl]piperidin-1-yl}carbonyl)oxy]nicotinate

HRID 1201123
Notes
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Reaction equation

HRID 1201123 reaction equation
[Br:2][CH2:3][CH2:4][NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][CH2:14][CH:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[cH:10][cH:11][cH:12]1)=[O:21].[CH3:45][C:46]#[N:47].[ClH:1].[N+:22]([c:23]1[cH:24][cH:25][c:26]([O:29][C:30](=[O:27])[O:32][c:33]2[cH:34][n:35][cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42]2)[cH:28][cH:31]1)([O-:43])=[O:44]>>[Br:2][CH2:3][CH2:4][NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][CH2:14][CH:15]2[CH2:16][CH2:17][N:18]([C:30](=[O:29])[O:32][c:33]3[cH:34][n:35][cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42]3)[CH2:19][CH2:20]2)[cH:10][cH:11][cH:12]1)=[O:21]
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 57421835Methyl 5-{[(4-nitrophenoxy)carbonyl]oxy}nicotinateHCID 57421837N-(2-bromoethyl)-3-(2-piperidin-4-ylethyl)benzamide

Product 1

HCID 57507765Methyl 5-[{(4-[2-(3-{[(2-bromoethyl)amino]carbonyl}phenyl)ethyl]piperidin-1-yl}carbonyl)oxy]nicotinate

Sources & evidence

ORD record
ord-a56910634451462b88126effc5a487d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes