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Chloride → Benzyl 4-((2-amino-4-(5-bromo-4-(2-ethoxy-2-oxoethyl)thiophene-2-carbonyl)phenyl)ethynyl)benzoate

HRID 944779
Notes
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Reaction equation

HRID 944779 reaction equation
[Br:1][c:2]1[c:3]([CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:4][c:5]([C:7](=[O:8])[c:9]2[cH:10][c:11]([N+:33]([O-:34])=[O:35])[c:12]([C:15]#[C:16][c:17]3[cH:18][cH:19][c:20]([C:21](=[O:22])[O:23][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:31][cH:32]3)[cH:13][cH:14]2)[s:6]1.[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl-:44].[Na+:49].[O-:45][C:46]([OH:47])=[O:48].[OH2:42].[OH2:43]>>[Br:1][c:2]1[c:3]([CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:4][c:5]([C:7](=[O:8])[c:9]2[cH:10][c:11]([NH2:33])[c:12]([C:15]#[C:16][c:17]3[cH:18][cH:19][c:20]([C:21](=[O:22])[O:23][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:31][cH:32]3)[cH:13][cH:14]2)[s:6]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium IonHCID 962Water2×HCID 8857Ethyl AcetateHCID 67496549Benzyl 4-((4-(5-bromo-4-(2-ethoxy-2-oxoethyl)thiophene-2-carbonyl)-2-nitrophenyl)ethynyl)benzoate

Product 1

HCID 67496516
Benzyl 4-((2-amino-4-(5-bromo-4-(2-ethoxy-2-oxoethyl)thiophene-2-carbonyl)phenyl)ethynyl)benzoate

Sources & evidence

ORD record
ord-fb92c625bcb241a8b667ba6677eb3bd6
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes