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Citric Acid → 4-(tert-Butyl-dimethyl-silanyloxy)-3-({6-[(naphthalene-2-carbonyl)-amino]-5-oxo-1,2,3,5,6,7,10,10a-octahydro-pyrrolo[1,2-a]azocine-3-carbonyl}-amino)-butyric acid

HRID 184988
Notes
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Reaction equation

HRID 184988 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]([CH2:12][O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[NH:21][C:22](=[O:23])[CH:24]1[CH2:25][CH2:26][CH:27]2[N:28]1[C:29](=[O:48])[CH:30]([NH:35][C:36](=[O:37])[c:38]1[cH:39][c:40]3[cH:41][cH:42][cH:43][cH:44][c:45]3[cH:46][cH:47]1)[CH2:31][CH:32]=[CH:33][CH2:34]2)=[O:49].[CH3:66][OH:67].[Na+:51].[OH-:50].[OH2:52].[OH:53][C:54]([CH2:55][C:56]([C:57](=[O:58])[OH:59])([CH2:60][C:61](=[O:62])[OH:63])[OH:64])=[O:65]>>[O:8]=[C:9]([CH2:10][CH:11]([CH2:12][O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[NH:21][C:22](=[O:23])[CH:24]1[CH2:25][CH2:26][CH:27]2[N:28]1[C:29](=[O:48])[CH:30]([NH:35][C:36](=[O:37])[c:38]1[cH:39][c:40]3[cH:41][cH:42][cH:43][cH:44][c:45]3[cH:46][cH:47]1)[CH2:31][CH:32]=[CH:33][CH2:34]2)[OH:49]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 311Citric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 695844714-(tert-Butyl-dimethyl-silanyloxy)-3-({6-[(naphthalene-2-carbonyl)-amino]-5-oxo-1,2,3,5,6,7,10,10a-octahydro-pyrrolo[1,2-a]azocine-3-carbonyl}-amino)-butyric acid benzyl ester

Product

1
HCID 695844784-(tert-Butyl-dimethyl-silanyloxy)-3-({6-[(naphthalene-2-carbonyl)-amino]-5-oxo-1,2,3,5,6,7,10,10a-octahydro-pyrrolo[1,2-a]azocine-3-carbonyl}-amino)-butyric acid

Sources & evidence

ORD record
ord-2e3d475e07ea4cf5b2716af316094a8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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