Hydrochloric Acid → 4-(tert-Butyl-dimethyl-silanyloxy)-3-({7-[(naphthalene-2-carbonyl)-amino]-6-oxo-1,3,4,6,7,8,11,11a-octahydro-2H-pyrido[1,2-a]azocine-4-carbonyl}-amino)-butyric Acid Benzyl Ester

HRID 2345438Notes

Reaction equation

HRID 2345438 reaction equation
[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][C:38]([CH2:39][CH:40]([CH2:41][O:42][Si:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[CH3:49])[NH2:50])=[O:51].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:59][N:60]([CH3:61])[CH2:62][CH2:63][CH2:64][N:65]=[C:66]=[N:67][CH2:68][CH3:69].[CH3:70][N:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[ClH:58].[OH2:52].[OH:77][n:78]1[c:79]2[cH:80][cH:81][cH:82][cH:83][c:84]2[n:85][n:86]1.[cH:1]1[c:2]([C:11](=[O:12])[NH:13][CH:14]2[CH2:15][CH:16]=[CH:17][CH2:18][CH:19]3[N:20]([C:21]2=[O:22])[CH:23]([C:27](=[O:28])[OH:29])[CH2:24][CH2:25][CH2:26]3)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[c:2]([C:11](=[O:12])[NH:13][CH:14]2[CH2:15][CH:16]=[CH:17][CH2:18][CH:19]3[N:20]([C:21]2=[O:22])[CH:23]([C:27](=[O:28])[NH:50][CH:40]([CH2:39][C:38]([O:37][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:51])[CH2:41][O:42][Si:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:24][CH2:25][CH2:26]3)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 23571419HCID 23571419, compoundHCID 696597087-[(Naphthalene-2-carbonyl)-amino]-6-oxo-1,3,4,6,7,8,11,11a-octahydro-2H-pyrido[1,2-a]azocine-4-carboxylic acid

Product 1

HCID 696596654-(tert-Butyl-dimethyl-silanyloxy)-3-({7-[(naphthalene-2-carbonyl)-amino]-6-oxo-1,3,4,6,7,8,11,11a-octahydro-2H-pyrido[1,2-a]azocine-4-carbonyl}-amino)-butyric Acid Benzyl Ester

Sources & evidence

ORD record
ord-b0af271338bc41fab85bf759f4ea245b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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