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Hydrochloric Acid → Hydrochloric Acid

HRID 142766
Notes
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Reaction equation

HRID 142766 reaction equation
[Br:19][CH2:20][CH2:21][c:22]1[cH:23][cH:24][c:25]2[c:26]([n:27][o:28][n:29]2)[cH:30]1.[C:31](=[O:32])([OH:33])[O-:34].[CH3:38][CH2:39][OH:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[ClH:1].[I-:36].[Li+:37].[Na+:35].[n:2]1[c:3]2[c:4]([n:5][o:6]1)[cH:7][c:8]([C:11](=[O:12])[CH:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1)[cH:9][cH:10]2>>[ClH:1].[n:2]1[c:3]2[c:4]([n:5][o:6]1)[cH:7][c:8]([C:11](=[O:12])[CH:13]1[CH2:14][CH2:15][N:16]([CH2:20][CH2:21][c:22]3[cH:23][cH:24][c:25]4[c:26]([n:27][o:28][n:29]4)[cH:30]3)[CH2:17][CH2:18]1)[cH:9][cH:10]2
ParticipantsSources & evidenceReaction notes

Participants

11

Reactant 9

HCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium IonHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 30165Iodide Ion
HCID 11775899
5-(2-Bromoethyl)benzofurazan
HCID 543810052,1,3-Benzoxadiazol-5-yl(piperidin-4-yl)methanone

Product 2

HCID 313Hydrochloric AcidHCID 151663922,1,3-Benzoxadiazol-5-yl-[1-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperidin-4-yl]methanone

Sources & evidence

ORD record
ord-bcb43cd91a9c41089f8fadb6978dccf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes