Hydrochloric Acid → HCID 23513863, compound

HRID 2159542Notes

Reaction equation

HRID 2159542 reaction equation
[CH3:1][O:2][C:3](=[O:4])[C:5]1([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][C:22]#[C:23][CH3:24])[cH:18][cH:19]2)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1.[CH3:25][C:26]1([CH3:36])[O:27][CH2:28][C:29]([CH3:32])([C:33](=[O:34])[OH:35])[CH2:30][O:31]1.[CH3:48][N:49]([CH3:50])[CH2:51][CH2:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH3:58].[CH3:59][N:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[ClH:47].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:1][O:2][C:3](=[O:4])[C:5]1([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][C:22]#[C:23][CH3:24])[cH:18][cH:19]2)[CH2:6][CH2:7][N:8]([C:33]([C:29]2([CH3:32])[CH2:28][O:27][C:26]([CH3:25])([CH3:36])[O:31][CH2:30]2)=[O:34])[CH2:9][CH2:10]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 113557762,2,5-trimethyl-1,3-dioxane-5-carboxylic AcidHCID 541369944-(4-but-2-ynyloxy-benzenesulfonyl)-piperidine-4-carboxylic Acid Methyl Ester

Product 1

HCID 23513863HCID 23513863, compound

Sources & evidence

ORD record
ord-7746f41d47224b22adf593ebf1f067a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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