Hydrochloric Acid → HCID 178499742, compound

HRID 2133420Notes

Reaction equation

HRID 2133420 reaction equation
[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([C:37](=[O:38])[O:39][CH:40]([CH3:41])[CH3:42])[CH2:7][c:8]2[cH:9][c:10]3[c:15]([cH:16][c:17]2[CH2:18]1)[N:14]([CH3:19])[C:13](=[O:20])[CH:12]([c:21]1[cH:22][cH:23][c:24]([O:27][CH2:28][c:29]2[cH:30][c:31]([Cl:36])[c:32]([Cl:35])[cH:33][cH:34]2)[cH:25][cH:26]1)[O:11]3.[CH3:44][O:45][C:46]([CH:47]([CH2:48][c:49]1[cH:50][cH:51][c:52](-[c:55]2[cH:56][cH:57][c:58]([C:61]#[N:62])[cH:59][cH:60]2)[cH:53][cH:54]1)[NH2:63])=[O:64].[ClH:43]>>[C:3](=[O:4])([CH:5]1[N:6]([C:37](=[O:38])[O:39][CH:40]([CH3:41])[CH3:42])[CH2:7][c:8]2[cH:9][c:10]3[c:15]([cH:16][c:17]2[CH2:18]1)[N:14]([CH3:19])[C:13](=[O:20])[CH:12]([c:21]1[cH:22][cH:23][c:24]([O:27][CH2:28][c:29]2[cH:30][c:31]([Cl:36])[c:32]([Cl:35])[cH:33][cH:34]2)[cH:25][cH:26]1)[O:11]3)[NH:63][CH:47]([C:46]([O:45][CH3:44])=[O:64])[CH2:48][c:49]1[cH:50][cH:51][c:52](-[c:55]2[cH:56][cH:57][c:58]([C:61]#[N:62])[cH:59][cH:60]2)[cH:53][cH:54]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 66719243Methyl 2-amino-3-[4-(4-cyanophenyl)phenyl]propanoateHCID 66923029HCID 66923029, compound

Product 1

HCID 178499742HCID 178499742, compound

Sources & evidence

ORD record
ord-0d66b7fa59dc4378bfac35c60ba09a08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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