Hydrochloric Acid → HCID 178499750, compound

HRID 1201532Notes

Reaction equation

HRID 1201532 reaction equation
[CH3:25][O:26][C:27]([CH:28]([CH2:29][c:30]1[cH:31][cH:32][c:33](-[c:36]2[cH:37][cH:38][c:39]([C:42]#[N:43])[cH:40][cH:41]2)[cH:34][cH:35]1)[NH2:44])=[O:45].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][c:9]2[cH:10][c:11]([OH:23])[c:12]([N+:20](=[O:21])[O-:22])[cH:13][c:14]2[CH2:15][CH:16]1[C:17](=[O:18])[OH:19].[ClH:24]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][c:9]2[cH:10][c:11]([OH:23])[c:12]([N+:20](=[O:21])[O-:22])[cH:13][c:14]2[CH2:15][CH:16]1[C:17](=[O:18])[NH:44][CH:28]([C:27]([O:26][CH3:25])=[O:45])[CH2:29][c:30]1[cH:31][cH:32][c:33](-[c:36]2[cH:37][cH:38][c:39]([C:42]#[N:43])[cH:40][cH:41]2)[cH:34][cH:35]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 66719243Methyl 2-amino-3-[4-(4-cyanophenyl)phenyl]propanoateHCID 178459642HCID 178459642, compound

Product 1

HCID 178499750HCID 178499750, compound

Sources & evidence

ORD record
ord-c9cc859685054583988d47d89bab4a82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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