Hydrochloric Acid → HCID 178452198, compound

HRID 155218Notes

Reaction equation

HRID 155218 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:31](=[O:32])[N:33]2[CH2:34][S:35][CH2:36][CH2:37]2)[CH2:10][CH:11]([N:13]2[CH2:14][CH2:15][N:16]([c:19]3[n:20][cH:21][c:22]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:23][c:24]3[Cl:25])[CH2:17][CH2:18]2)[CH2:12]1.[CH3:73][CH2:74][OH:75].[Cl:41][c:42]1[c:43]([N:44]2[CH2:45][CH2:46][N:47]([CH:48]3[CH2:49][NH:50][CH:51]([C:52]([N:53]4[CH2:54][CH2:55][S:56][CH2:57]4)=[O:58])[CH2:59]3)[CH2:60][CH2:61]2)[n:62][cH:63][c:64]([C:65]([O:66][CH2:67][CH3:68])=[O:69])[cH:70]1.[ClH:38].[ClH:39].[ClH:40].[Li+:71].[OH-:72]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:31](=[O:32])[N:33]2[CH2:34][S:35][CH2:36][CH2:37]2)[CH2:10][CH:11]([N:13]2[CH2:14][CH2:15][N:16]([c:19]3[n:20][cH:21][c:22]([C:26](=[O:27])[OH:28])[cH:23][c:24]3[Cl:25])[CH2:17][CH2:18]2)[CH2:12]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid3×HCID 702EthanolHCID 961HydroxideHCID 28486Lithium ionHCID 178469813HCID 178469813, compoundHCID 178469814HCID 178469814, compound

Product 1

HCID 178452198HCID 178452198, compound

Sources & evidence

ORD record
ord-a8ad1a3ec5804e3387c6b2f9bd12b5b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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