Hydrochloric Acid → HCID 178496824, compound

HRID 93401Notes

Reaction equation

HRID 93401 reaction equation
[CH3:71][N:72]1[CH2:73][CH2:74][O:75][CH2:76][CH2:77]1.[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[Cl:40][c:41]1[c:42]([O:47][C:48](=[O:43])[CH:49]([NH:50][C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[CH2:58][c:59]2[cH:60][cH:61][c:62]([OH:65])[cH:63][cH:64]2)[c:44]([Cl:45])[c:46]([Cl:66])[c:67]([Cl:68])[c:69]1[Cl:70].[ClH:1].[NH2:2][CH:3]([CH2:4][CH2:5][S:6][CH3:7])[C:8](=[O:9])[NH:10][CH2:11][C:12](=[O:13])[NH:14][CH:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[C:23](=[O:24])[CH:25]1[C:26]2([C:36](=[O:37])[O:38][CH3:39])[CH2:27][CH:28]3[CH2:29][CH:30]([CH2:31][C:32]1([NH2:34])[CH2:33]3)[CH2:35]2.[O:78]1[CH2:79][CH2:80][CH2:81][CH2:82]1>>[NH:2]([CH:3]([CH2:4][CH2:5][S:6][CH3:7])[C:8](=[O:9])[NH:10][CH2:11][C:12](=[O:13])[NH:14][CH:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[C:23](=[O:24])[CH:25]1[C:26]2([C:36](=[O:37])[O:38][CH3:39])[CH2:27][CH:28]3[CH2:29][CH:30]([CH2:31][C:32]1([NH2:34])[CH2:33]3)[CH2:35]2)[C:48](=[O:47])[CH:49]([NH:50][C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[CH2:58][c:59]1[cH:60][cH:61][c:62]([OH:65])[cH:63][cH:64]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 15608387(2,3,4,5,6-Pentachlorophenyl) 3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoateHCID 178496827HCID 178496827, compound

Product 1

HCID 178496824HCID 178496824, compound

Sources & evidence

ORD record
ord-c93f4edbb7ea41c28ec57f98b12d54c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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