Acetic Acid → HCID 11855483, compound

HRID 2350790Notes

Reaction equation

HRID 2350790 reaction equation
[CH2:1]=[O:2].[CH3:3][C:4](=[O:5])[OH:6].[CH:45]([Cl:46])([Cl:47])[Cl:48].[Cl:7][c:8]1[c:9]([N:34]2[CH2:35][CH2:36][CH:37]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH2:38][CH2:39]2)[n:10][cH:11][c:12]([C:14]([NH:15][c:16]2[s:17][c:18]([CH2:27][NH:28][CH:29]3[CH2:30][CH2:31][CH2:32]3)[c:19](-[c:21]3[s:22][cH:23][c:24]([Cl:26])[cH:25]3)[n:20]2)=[O:33])[cH:13]1>>[CH3:3][N:28]([CH2:27][c:18]1[s:17][c:16]([NH:15][C:14]([c:12]2[cH:11][n:10][c:9]([N:34]3[CH2:35][CH2:36][CH:37]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH2:38][CH2:39]3)[c:8]([Cl:7])[cH:13]2)=[O:33])[n:20][c:19]1-[c:21]1[s:22][cH:23][c:24]([Cl:26])[cH:25]1)[CH:29]1[CH2:30][CH2:31][CH2:32]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 712FormaldehydeHCID 6212ChloroformHCID 23117177HCID 23117177, compound

Product 1

HCID 11855483HCID 11855483, compound

Sources & evidence

ORD record
ord-a2960bf8d07943c999a11f2c00d3601e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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