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Acetic Acid → 4-(5-Cyclopropylamino-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-benzoic acid ethyl ester

HRID 819615
Notes
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Reaction equation

HRID 819615 reaction equation
[C:35]([BH3-:36])#[N:37].[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([cH:21][cH:22]2)[C:19](=[O:23])[CH2:18][CH2:17][C:16]3([CH3:24])[CH3:25])[cH:9][cH:10]1)=[O:26].[CH3:31][C:32](=[O:33])[OH:34].[CH3:42][C:43]#[N:44].[CH:27]1([NH2:30])[CH2:28][CH2:29]1.[Cl:39][CH2:40][Cl:41].[Na+:38].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[OH2:45]>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([cH:21][cH:22]2)[CH:19]([NH:30][CH:27]2[CH2:28][CH2:29]2)[CH2:18][CH2:17][C:16]3([CH3:24])[CH3:25])[cH:9][cH:10]1)=[O:26]
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 923Sodium Ion3×HCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 69828Cyclopropylamine
HCID 498716
Cyano-borohydride
HCID 15345545Ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate

Product 1

HCID 129717084-(5-Cyclopropylamino-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-benzoic acid ethyl ester

Sources & evidence

ORD record
ord-c2070c418ce0478e9e0ab709f7695b7b
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes