Hydrochloric Acid → HCID 68434415, compound

HRID 2349657Notes

Reaction equation

HRID 2349657 reaction equation
[Cl:1][c:2]1[cH:3][c:4]([CH:5]=[CH:6][C:7]([N:8]2[CH2:9][CH2:10][C:11](=[O:12])[NH:13][CH2:14][CH2:15]2)=[O:16])[cH:17][cH:18][c:19]1[Cl:20].[ClH:36].[ClH:37].[N:38]1([CH2:44][CH2:45][CH2:46][N:47]2[CH2:48][CH2:49][NH:50][CH2:51][CH2:52][C:53]2=[O:54])[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[OH:21][C:22](=[O:23])[CH:24]=[CH:25][c:26]1[cH:27][cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1>>[C:22](=[O:23])([CH:24]=[CH:25][c:26]1[cH:27][cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)[N:50]1[CH2:49][CH2:48][N:47]([CH2:46][CH2:45][CH2:44][N:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[C:53](=[O:54])[CH2:52][CH2:51]1

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 855273-Trifluoromethylcinnamic acidHCID 66783026HCID 66783026, compoundHCID 670748421-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-1,4-diazepan-5-one

Product 1

HCID 68434415HCID 68434415, compound

Sources & evidence

ORD record
ord-950c02be6f82484e9c349bba4a75a2af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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