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Hydrochloric Acid → 1-[2-(4-Cyanophenoxy)ethyl]-3,3-dimethyl-1-[2-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]urea

HRID 177463
Notes
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Reaction equation

HRID 177463 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]2[CH2:11][N:12]([CH2:17][CH2:18][N:19]([C:20](=[O:21])[N:22]([CH3:23])[CH3:24])[CH2:25][CH2:26][O:27][c:28]3[cH:29][cH:30][c:31]([C:34]#[N:35])[cH:32][cH:33]3)[CH2:13][CH:14]([CH2:15]1)[O:16]2)([CH3:5])([CH3:6])[CH3:7].[ClH:36].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1>>[NH:8]1[CH2:9][CH:10]2[CH2:11][N:12]([CH2:17][CH2:18][N:19]([C:20](=[O:21])[N:22]([CH3:23])[CH3:24])[CH2:25][CH2:26][O:27][c:28]3[cH:29][cH:30][c:31]([C:34]#[N:35])[cH:32][cH:33]3)[CH2:13][CH:14]([CH2:15]1)[O:16]2
ParticipantsSources & evidenceReaction notes

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 690786487-(2-{1-[2-(4-Cyanophenoxy)ethyl]-3,3-dimethylureido}ethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

Product 1

HCID 690769821-[2-(4-Cyanophenoxy)ethyl]-3,3-dimethyl-1-[2-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]urea

Sources & evidence

ORD record
ord-6e83fa6f7bd74d6b9b58e88c8d135139
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes