Hydrochloric Acid → HCID 178499739, compound

HRID 111769Notes

Reaction equation

HRID 111769 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[OH:20])[O:21][CH2:22][CH:23]([c:25]1[cH:26][cH:27][c:28]([O:31][CH2:32][c:33]2[cH:34][c:35]([Cl:40])[c:36]([Cl:39])[cH:37][cH:38]2)[cH:29][cH:30]1)[O:24]3.[CH3:42][O:43][C:44]([CH:45]([CH2:46][c:47]1[cH:48][cH:49][c:50](-[c:53]2[cH:54][cH:55][c:56]([Cl:59])[cH:57][cH:58]2)[cH:51][cH:52]1)[NH2:60])=[O:61].[ClH:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[NH:60][CH:45]([C:44]([O:43][CH3:42])=[O:61])[CH2:46][c:47]1[cH:48][cH:49][c:50](-[c:53]2[cH:54][cH:55][c:56]([Cl:59])[cH:57][cH:58]2)[cH:51][cH:52]1)[O:21][CH2:22][CH:23]([c:25]1[cH:26][cH:27][c:28]([O:31][CH2:32][c:33]2[cH:34][c:35]([Cl:40])[c:36]([Cl:39])[cH:37][cH:38]2)[cH:29][cH:30]1)[O:24]3

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 57045701Methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoateHCID 66719308HCID 66719308, compound

Product 1

HCID 178499739HCID 178499739, compound

Sources & evidence

ORD record
ord-b0e31b2adbeb4e2fbf7212ec0a1f1941
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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