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Hydroxide → 3-(3,4-Diethyl-phenyl)-2-{[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carbonyl]-amino}-propionic acid

HRID 86614
Notes
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Reaction equation

HRID 86614 reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([CH2:11][CH:12]([C:13](=[O:14])[O:15][CH3:16])[NH:17][C:18](=[O:19])[N:20]2[CH2:21][CH2:22][CH:23]([N:26]3[C:27](=[O:37])[NH:28][c:29]4[c:30]([cH:33][cH:34][cH:35][cH:36]4)[CH2:31][CH2:32]3)[CH2:24][CH2:25]2)[cH:6][cH:7][c:8]1[CH2:9][CH3:10].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[Li+:40].[OH-:39].[OH2:38].[OH2:46]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([CH2:11][CH:12]([C:13](=[O:14])[OH:15])[NH:17][C:18](=[O:19])[N:20]2[CH2:21][CH2:22][CH:23]([N:26]3[C:27](=[O:37])[NH:28][c:29]4[c:30]([cH:33][cH:34][cH:35][cH:36]4)[CH2:31][CH2:32]3)[CH2:24][CH2:25]2)[cH:6][cH:7][c:8]1[CH2:9][CH3:10]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 22184617Methyl 3-(3,4-diethyl-phenyl)-2-{[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carbonyl]-amino}-propionate

Product 1

HCID 22184578
3-(3,4-Diethyl-phenyl)-2-{[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carbonyl]-amino}-propionic acid

Sources & evidence

ORD record
ord-9ceac768cccf4720beb13185b505333a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes