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Acetic Acid → 5-Methoxy-3-(N-methylthioethyl-N-propionylamino)chroman

HRID 2339638
Notes
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Reaction equation

HRID 2339638 reaction equation
[C:23]([BH3-:24])#[N:25].[C:29]([CH2:30][CH3:31])(=[O:32])[Cl:33].[CH3:18][S:19][CH2:20][CH2:21][NH2:22].[CH3:1][C:2](=[O:3])[OH:4].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][CH2:42][OH:43].[CH3:44][OH:45].[CH3:5][O:6][c:7]1[c:8]2[c:13]([cH:14][cH:15][cH:16]1)[O:12][CH2:11][C:10](=[O:17])[CH2:9]2.[Cl:46][CH2:47][Cl:48].[Na+:26].[Na+:28].[OH-:27].[OH2:49]>>[CH3:5][O:6][c:7]1[c:8]2[c:13]([cH:14][cH:15][cH:16]1)[O:12][CH2:11][CH:10]([N:22]([CH2:21][CH2:20][S:19][CH3:18])[C:29]([CH2:30][CH3:31])=[O:32])[CH2:9]2
ParticipantsSources & evidenceReaction notes

Participants

13

Reactant 12

HCID 176Acetic AcidHCID 702EthanolHCID 887MethanolHCID 923Sodium Ion2×HCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 8471Triethylamine
HCID 62324Propionyl chloride
HCID 87697(2-(Methylthio)ethyl)amine
HCID 498716Cyano-borohydride
HCID 117690965-methoxy-3,4-dihydro-2H-1-benzopyran-3-one

Product 1

HCID 147034315-Methoxy-3-(N-methylthioethyl-N-propionylamino)chroman

Sources & evidence

ORD record
ord-82503cc17be4434f83f2146e86a4d477
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes