Acetic Acid → HCID 69310125, compound

HRID 207355Notes

Reaction equation

HRID 207355 reaction equation
[Br:19][c:20]1[cH:21][c:22]([C:23](=[O:24])[N:25]([CH3:26])[CH2:27][CH:28]([CH2:29][CH2:30][N:31]2[CH2:32][CH:33]([N:34]3[CH2:35][CH2:36][N:37]4[C:38](=[O:39])[CH2:40][CH2:41][CH2:42][CH:43]4[CH2:44]3)[CH2:45]2)[c:46]2[cH:47][cH:48][c:49]([F:52])[cH:50][cH:51]2)[cH:53][c:54]([C:56]([F:57])([F:58])[F:59])[cH:55]1.[CH3:60][OH:61].[CH3:63][C:64](=[O:65])[OH:66].[ClH:17].[ClH:18].[ClH:1].[NH:2]1[CH2:3][CH:4]([N:6]2[CH2:7][CH:8]3[CH2:9][O:10][CH2:11][C:12](=[O:16])[N:13]3[CH2:14][CH2:15]2)[CH2:5]1.[OH2:62]>>[N:2]1([CH2:30][CH2:29][CH:28]([CH2:27][N:25]([C:23]([c:22]2[cH:21][c:20]([Br:19])[cH:55][c:54]([C:56]([F:57])([F:58])[F:59])[cH:53]2)=[O:24])[CH3:26])[c:46]2[cH:47][cH:48][c:49]([F:52])[cH:50][cH:51]2)[CH2:3][CH:4]([N:6]2[CH2:7][CH:8]3[CH2:9][O:10][CH2:11][C:12](=[O:16])[N:13]3[CH2:14][CH2:15]2)[CH2:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric Acid3×HCID 887MethanolHCID 962WaterHCID 16123290HCID 16123290, compoundHCID 178483512HCID 178483512, compound

Product 1

HCID 69310125HCID 69310125, compound

Sources & evidence

ORD record
ord-ad46c012d87b40588b6c0c6008c21479
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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