Acetic Acid → HCID 178481040, compound

HRID 2323179Notes

Reaction equation

HRID 2323179 reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]2=[C:12]([c:13]1[cH:14][c:15]([N+:20]([O-:21])=[O:22])[c:16]([NH2:19])[cH:17][cH:18]1)[NH:23][c:24]1[cH:25][cH:26][c:27]([C:30](=[O:31])[N:32]2[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]2)[cH:28][cH:29]1.[H:39][H:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]2=[C:12]([c:13]1[cH:14][c:15]([NH2:20])[c:16]([NH2:19])[cH:17][cH:18]1)[NH:23][c:24]1[cH:25][cH:26][c:27]([C:30](=[O:31])[N:32]2[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]2)[cH:28][cH:29]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 178418361HCID 178418361, compoundHCID 178481041HCID 178481041, compound

Product 1

HCID 178481040HCID 178481040, compound

Sources & evidence

ORD record
ord-a06f8409486e4670a732efba0459d0af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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