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Acetate → Ethyl 1-{[3-(2-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3-thiazol-5-yl)-2-ethylphenyl]methyl}-4-piperidinecarboxylate

HRID 1130950
Notes
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Reaction equation

HRID 1130950 reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[CH3:32][C:33](=[O:34])[O-:35].[CH3:47][CH2:48][OH:49].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[s:13][c:14](-[c:17]3[c:18]([CH2:25][CH3:26])[c:19]([CH:20]=[O:21])[cH:22][cH:23][cH:24]3)[cH:15][n:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[NH:36]1[CH2:37][CH2:38][CH:39]([C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:40][CH2:41]1.[Na+:31]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[s:13][c:14](-[c:17]3[c:18]([CH2:25][CH3:26])[c:19]([CH2:20][N:36]4[CH2:37][CH2:38][CH:39]([C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:40][CH2:41]4)[cH:22][cH:23][cH:24]3)[cH:15][n:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 702EthanolHCID 923Sodium IonHCID 70770Ethyl 4-piperidinecarboxylateHCID 584940933-(2-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,3-thiazol-5-yl)-2-ethylbenzaldehyde

Product 1

HCID 58494151
Ethyl 1-{[3-(2-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3-thiazol-5-yl)-2-ethylphenyl]methyl}-4-piperidinecarboxylate

Sources & evidence

ORD record
ord-85ceed6386eb4f5db8560fa8997a08ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes