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Hydrochloric Acid → HCID 178521338, compound

HRID 172199
Notes
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Reaction equation

HRID 172199 reaction equation
[C:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[ClH:1].[Na+:60].[O:2]=[C:3]([CH2:4][NH:5][C:6]([c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1)=[O:17])[NH:18][CH:19]1[CH2:20][NH:21][CH2:22][CH2:23]1.[OH:24][C:25]1([c:34]2[cH:35][n:36][cH:37][cH:38][cH:39]2)[CH:26]2[CH2:27][C:28](=[O:33])[CH:29]([CH2:30]1)[CH2:31][CH2:32]2>>[O:2]=[C:3]([CH2:4][NH:5][C:6]([c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1)=[O:17])[NH:18][CH:19]1[CH2:20][N:21]([CH:28]2[CH2:27][CH:26]3[C:25]([OH:24])([c:34]4[cH:35][n:36][cH:37][cH:38][cH:39]4)[CH2:30][CH:29]2[CH2:31][CH2:32]3)[CH2:22][CH2:23]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 18426146N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]-3-(trifluoromethyl)benzamide
HCID 59556058
5-Hydroxy-5-pyridin-3-ylbicyclo[2.2.2]octan-2-one

Product 1

HCID 178521338HCID 178521338, compound

Sources & evidence

ORD record
ord-5857ded8f1c848e5bee4788a144ade14
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