Hydrochloric Acid → 3-[4-(2-butoxyethoxy)phenyl]-10-propyl-N-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-8,9-dihydro-7H-pyrido[2,3-b]azocine-6-carboxamide

HRID 1139314Notes

Reaction equation

HRID 1139314 reaction equation
[CH2:30]([CH2:31][CH3:32])[n:33]1[cH:34][n:35][cH:36][c:37]1[CH2:38][S:39](=[O:40])[c:41]1[cH:42][cH:43][c:44]([NH2:45])[cH:46][cH:47]1.[CH2:48]([CH2:49][CH2:50][CH3:51])[O:52][CH2:53][CH2:54][O:55][c:56]1[cH:57][cH:58][c:59](-[c:62]2[cH:63][c:64]3[c:65]([n:78][cH:79]2)[N:66]([CH2:75][CH2:76][CH3:77])[CH2:67][CH2:68][CH2:69][C:70]([C:72](=[O:73])[OH:74])=[CH:71]3)[cH:60][cH:61]1.[CH2:86]([n:87]1[c:88]([CH2:89][S:90]([c:91]2[cH:92][cH:93][c:94]([NH2:95])[cH:96][cH:97]2)=[O:98])[cH:99][n:100][cH:101]1)[CH2:102][CH3:103].[CH3:104][CH2:105][O:106][C:107](=[O:108])[CH3:109].[Cl:111][CH2:112][Cl:113].[Cl:80][C:81]([C:82]([Cl:83])=[O:84])=[O:85].[ClH:110].[O:114]1[CH2:115][CH2:116][CH2:117][CH2:118]1.[O:126]=[CH:127][N:128]([CH3:129])[CH3:130].[OH2:119].[OH2:1].[c:2]1([CH3:3])[cH:4][cH:5][c:6]([C:7]([O:8][C:9]([CH:10]([CH:11]([C:12]([O:13][C:14]([c:15]2[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]2)=[O:22])=[O:23])[OH:24])[OH:25])=[O:26])=[O:27])[cH:28][cH:29]1.[cH:120]1[cH:121][cH:122][n:123][cH:124][cH:125]1>>[CH2:30]([CH2:31][CH3:32])[n:33]1[cH:34][n:35][cH:36][c:37]1[CH2:38][S:39](=[O:40])[c:41]1[cH:42][cH:43][c:44]([NH:45][C:72]([C:70]2=[CH:71][c:64]3[cH:63][c:62](-[c:59]4[cH:58][cH:57][c:56]([O:55][CH2:54][CH2:53][O:52][CH2:48][CH2:49][CH2:50][CH3:51])[cH:61][cH:60]4)[cH:79][n:78][c:65]3[N:66]([CH2:75][CH2:76][CH3:77])[CH2:67][CH2:68][CH2:69]2)=[O:73])[cH:46][cH:47]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 962Water2×HCID 1049PyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 14721058Di-p-toluoyltartrateHCID 229386104-[[(1-Propyl-1H-imidazol-5-yl)methyl]sulfinyl]benzenamine2×HCID 694282083-[4-(2-Butoxyethoxy)phenyl]-10-propyl-7,8,9,10-tetrahydropyrido[2,3-b]azocine-6-carboxylic acid

Product 1

HCID 694273863-[4-(2-butoxyethoxy)phenyl]-10-propyl-N-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-8,9-dihydro-7H-pyrido[2,3-b]azocine-6-carboxamide

Sources & evidence

ORD record
ord-8cfb166122c147dbabf6fdab94cea294
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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