Hydrochloric Acid → N-(t-butyloxy)-2-[[4-methoxybenzenesulfonyl](benzyl)amino]-2-[(2-methyl-5-tetrazolyl)methyl]acetamide

HRID 690478Notes

Reaction equation

HRID 690478 reaction equation
[C:49]([CH3:50])([CH3:51])([CH3:52])[O:53][NH2:54].[CH2:67]([Cl:68])[Cl:69].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]([CH:13]([C:14](=[O:15])[OH:16])[CH2:17][c:18]2[n:19][n:20][n:21]([CH3:23])[n:22]2)[CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:7][cH:8]1.[CH3:41][N:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[CH3:56][N:57]([CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65])[CH3:66].[ClH:48].[ClH:55].[OH2:70].[OH:31][n:32]1[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]([CH:13]([C:14](=[O:16])[NH:54][O:53][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:17][c:18]2[n:19][n:20][n:21]([CH3:23])[n:22]2)[CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 2777907O-tert-butylhydroxylamineHCID 229071362-[Benzyl-(4-methoxyphenyl)sulfonylamino]-3-(2-methyltetrazol-5-yl)propanoic acid

Product 1

HCID 22907048N-(t-butyloxy)-2-[[4-methoxybenzenesulfonyl](benzyl)amino]-2-[(2-methyl-5-tetrazolyl)methyl]acetamide

Sources & evidence

ORD record
ord-dff467b9f7214361b46ab21b2c576a81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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