Hydrochloric Acid → 4-[3-Methoxy-5-(3-methoxycarbonyl-propoxy)-benzoylamino]-piperidine-1-carboxylic acid tert-butyl ester

HRID 1546345Notes

Reaction equation

HRID 1546345 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]2[cH:17][c:18]([OH:24])[cH:19][c:20]([O:22][CH3:23])[cH:21]2)=[O:25])[CH2:12][CH2:13]1.[C:38]([O:39][C:40]([N:41]1[CH2:42][CH2:43][CH:44]([NH2:45])[CH2:46][CH2:47]1)=[O:48])([CH3:49])([CH3:50])[CH3:51].[C:64](=[O:65])([O-:66])[O-:67].[CH3:53][N:54]([CH3:55])[CH2:56][CH2:57][CH2:58][N:59]=[C:60]=[N:61][CH2:62][CH3:63].[CH3:70][O:71][C:72]([CH2:73][CH2:74][CH2:75][Br:76])=[O:77].[CH3:86][C:87]#[N:88].[Cl:83][CH2:84][Cl:85].[ClH:52].[K+:68].[K+:69].[O:78]1[CH2:79][CH2:80][CH2:81][CH2:82]1.[OH:26][c:27]1[cH:28][c:29]([C:35]([OH:36])=[O:37])[cH:30][c:31]([O:32][CH3:33])[cH:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]2[cH:17][c:18]([O:24][CH2:75][CH2:74][CH2:73][C:72]([O:71][CH3:70])=[O:77])[cH:19][c:20]([O:22][CH3:23])[cH:21]2)=[O:25])[CH2:12][CH2:13]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 19660Carbonate IonHCID 107604Methyl 4-bromobutyrateHCID 12682914-Amino-1-Boc-piperidineHCID 74720243-Hydroxy-5-methoxybenzoic acidHCID 684587374-(3-Hydroxy-5-methoxy-benzoylamino)-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 684598954-[3-Methoxy-5-(3-methoxycarbonyl-propoxy)-benzoylamino]-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-d32441f1b0304e4b965ba6e1763fe52d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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