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Hydrochloric Acid → 2-[3-(5-Bromo-3-pyridinyl)prop-2-enoyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrazolidin-3-one

HRID 1150725
Notes
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Reaction equation

HRID 1150725 reaction equation
[Br:24][c:25]1[cH:26][c:27]([CH:31]=[CH:32][C:33](=[O:34])[OH:35])[cH:28][n:29][cH:30]1.[CH2:57]([Cl:58])[Cl:59].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH:36]1([O:41][c:42]2[cH:43][c:44]([CH:50]3[CH2:51][C:52](=[O:56])[NH:53][N:54]3[CH3:55])[cH:45][cH:46][c:47]2[O:48][CH3:49])[CH2:37][CH2:38][CH2:39][CH2:40]1.[ClH:1].[OH2:13].[OH:14][n:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1>>[Br:24][c:25]1[cH:26][c:27]([CH:31]=[CH:32][C:33](=[O:35])[N:53]2[C:52](=[O:56])[CH2:51][CH:50]([c:44]3[cH:43][c:42]([O:41][CH:36]4[CH2:37][CH2:38][CH2:39][CH2:40]4)[c:47]([O:48][CH3:49])[cH:46][cH:45]3)[N:54]2[CH3:55])[cH:28][n:29][cH:30]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 27847353-(5-Bromopyridin-3-yl)prop-2-enoic acid
HCID 19792765
5-[3-(Cyclopentyloxy)-4-methoxyphenyl]-1-methyl-3-pyrazolidinone

Product 1

HCID 543345852-[3-(5-Bromo-3-pyridinyl)prop-2-enoyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrazolidin-3-one

Sources & evidence

ORD record
ord-d5193dd54b74473d9f75dd4a3b9fb6ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes