Hydrochloric Acid → Ethyl [2-[2-[2-(5-cyano-2-methoxybenzenesulfonylamino)ethyl]-5-isopropylphenoxy]-acetylamino]acetate

HRID 139544Notes

Reaction equation

HRID 139544 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:29][CH3:30])[c:7]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][c:15]2[c:16]([O:17][CH2:18][C:19](=[O:20])[OH:21])[cH:22][c:23]([CH:26]([CH3:27])[CH3:28])[cH:24][cH:25]2)[cH:8]1.[CH2:32]([CH3:33])[O:34][C:35]([CH2:36][NH2:37])=[O:38].[CH3:51][N:52]([CH3:53])[CH2:54][CH2:55][CH2:56][N:57]=[C:58]=[N:59][CH2:60][CH3:61].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[ClH:31].[ClH:50].[OH2:39].[OH2:67].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:29][CH3:30])[c:7]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][c:15]2[c:16]([O:17][CH2:18][C:19](=[O:20])[NH:37][CH2:36][C:35]([O:34][CH2:32][CH3:33])=[O:38])[cH:22][c:23]([CH:26]([CH3:27])[CH3:28])[cH:24][cH:25]2)[cH:8]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962Water2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 12176Glycine ethyl esterHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 18456942[2-[2-(5-Cyano-2-methoxybenzenesulfonylamino)ethyl]-5-isopropylphenoxy]acetic acid

Product 1

HCID 18456978Ethyl [2-[2-[2-(5-cyano-2-methoxybenzenesulfonylamino)ethyl]-5-isopropylphenoxy]-acetylamino]acetate

Sources & evidence

ORD record
ord-a5027d05b17e4cfaba93408a0ef5cf75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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