Acetic Acid → HCID 67546495, compound

HRID 213605Notes

Reaction equation

HRID 213605 reaction equation
[CH3:49][C:50](=[O:51])[OH:52].[CH3:53][OH:54].[Cl:1][C:2]([Cl:3])([Cl:4])[CH2:5][O:46][C:47]([N:6]([CH2:7][c:8]1[c:9]([F:15])[cH:10][c:11]([F:14])[cH:12][cH:13]1)[CH:16]1[CH2:17][N:18]([CH2:37][c:38]2[c:39]([F:45])[c:40]([F:44])[cH:41][cH:42][cH:43]2)[CH:19]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][N:26]([c:29]3[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]3)[CH2:27][CH2:28]2)[CH2:20]1)=[O:48]>>[NH:6]([CH2:7][c:8]1[c:9]([F:15])[cH:10][c:11]([F:14])[cH:12][cH:13]1)[CH:16]1[CH2:17][N:18]([CH2:37][c:38]2[c:39]([F:45])[c:40]([F:44])[cH:41][cH:42][cH:43]2)[CH:19]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][N:26]([c:29]3[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]3)[CH2:27][CH2:28]2)[CH2:20]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 887MethanolHCID 86625299HCID 86625299, compound

Product 1

HCID 67546495HCID 67546495, compound

Sources & evidence

ORD record
ord-f1e5444fff8f452cbce08ee7e68e091c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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