Hydrochloric Acid → HCID 53695102, compound

HRID 2329850Notes

Reaction equation

HRID 2329850 reaction equation
[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[ClH:41].[O:42]=[S:43](=[O:44])([OH:45])[CH2:46][C:47]12[CH2:48][CH2:49][CH:50]([C:51]1([CH3:52])[CH3:53])[CH2:54][C:55]2=[O:56].[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][NH:14][C:15]([c:16]2[cH:17][c:18](-[c:33]3[cH:34][c:35]([CH3:39])[cH:36][cH:37][cH:38]3)[c:19]([O:29][CH2:30][O:31][CH3:32])[c:20](-[c:22]3[cH:23][c:24]([CH3:28])[cH:25][cH:26][cH:27]3)[cH:21]2)=[O:40])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][NH:14][C:15]([c:16]2[cH:17][c:18](-[c:33]3[cH:34][c:35]([CH3:39])[cH:36][cH:37][cH:38]3)[c:19]([OH:29])[c:20](-[c:22]3[cH:23][c:24]([CH3:28])[cH:25][cH:26][cH:27]3)[cH:21]2)=[O:40])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 22237522HCID 22237522, compound

Product 1

HCID 53695102HCID 53695102, compound

Sources & evidence

ORD record
ord-5c3145902e2044d1a772321a3d8fa195
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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