Hydrochloric Acid → HCID 178491681, compound

HRID 2160765Notes

Reaction equation

HRID 2160765 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:23](=[O:24])[OH:25])[CH2:10][CH:11]([S:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[CH2:12]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[ClH:45].[N+:26](=[O:27])([O-:28])[c:29]1[cH:30][cH:31][c:32]([CH2:33][O:34][C:35](=[O:36])[N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:43][cH:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:23](=[O:24])[N:40]2[CH2:39][CH2:38][N:37]([C:35]([O:34][CH2:33][c:32]3[cH:31][cH:30][c:29]([N+:26](=[O:27])[O-:28])[cH:44][cH:43]3)=[O:36])[CH2:42][CH2:41]2)[CH2:10][CH:11]([S:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[CH2:12]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 22242809HCID 22242809, compoundHCID 54133965HCID 54133965, compound

Product 1

HCID 178491681HCID 178491681, compound

Sources & evidence

ORD record
ord-4437af2e7e494299a4ed468f4b9affbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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