Acetic Acid → HCID 59011947, compound

HRID 1153005Notes

Reaction equation

HRID 1153005 reaction equation
[CH3:1][O:2][c:3]1[c:4]2[c:5]([n:6][cH:7][n:8]1)[s:9][c:10]([NH:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][C:18]([c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)([OH:31])[CH2:19][CH2:20]1)[n:11]2.[CH3:41][C:42](=[O:43])[OH:44].[Cl:32][CH2:33][C:34]#[N:35].[OH2:45].[S:36]([OH:37])(=[O:38])(=[O:39])[OH:40]>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([n:6][cH:7][n:8]1)[s:9][c:10]([NH:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][C:18]([c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)([NH:35][C:34]([CH2:33][Cl:32])=[O:37])[CH2:19][CH2:20]1)[n:11]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 7856ChloroacetonitrileHCID 24829619HCID 24829619, compound

Product 1

HCID 59011947HCID 59011947, compound

Sources & evidence

ORD record
ord-2e5cf2f80cc04276a2b7e6a7ba06fea0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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