Hydrochloric Acid → HCID 12096027, compound

HRID 310764Notes

Reaction equation

HRID 310764 reaction equation
[C:10](#[N:11])[c:12]1[cH:13][cH:14][c:15]([OH:38])[c:16]([S:18](=[O:19])(=[O:20])[NH:21][CH2:22][CH2:23][c:24]2[c:25]([NH:33][CH2:34][C:35](=[O:36])[OH:37])[cH:26][c:27]([CH:30]([CH3:31])[CH3:32])[cH:28][cH:29]2)[cH:17]1.[CH3:51][N:52]([CH3:53])[CH2:54][CH2:55][CH2:56][N:57]=[C:58]=[N:59][CH2:60][CH3:61].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[ClH:1].[ClH:50].[ClH:62].[NH2:2][CH2:3][CH2:4][C:5](=[O:6])[O:7][CH2:8][CH3:9].[OH2:39].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[NH:2]([CH2:3][CH2:4][C:5](=[O:6])[O:7][CH2:8][CH3:9])[C:35]([CH2:34][NH:33][c:25]1[c:24]([CH2:23][CH2:22][NH:21][S:18]([c:16]2[c:15]([OH:38])[cH:14][cH:13][c:12]([C:10]#[N:11])[cH:17]2)(=[O:19])=[O:20])[cH:29][cH:28][c:27]([CH:30]([CH3:31])[CH3:32])[cH:26]1)=[O:36]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid3×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 419889Ethyl 3-aminopropanoateHCID 12096026[[2-[2-(5-Cyano-2-hydroxybenzenesulfonylamino)ethyl]-5-isopropylphenyl]amino]acetic acid

Product 1

HCID 12096027HCID 12096027, compound

Sources & evidence

ORD record
ord-210fad3cf8534816894dbc569720e16b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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