Acetic Acid → HCID 14986929, compound

HRID 194717Notes

Reaction equation

HRID 194717 reaction equation
[CH3:40][C:41](=[O:42])[OH:43].[Cl:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([N:24]3[CH2:25][CH2:26][N:27]([c:30]4[cH:31][cH:32][c:33]([N+:36]([O-:37])=[O:38])[cH:34][cH:35]4)[CH2:28][CH2:29]3)[cH:22][cH:23]2)[OH:39])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1>>[Cl:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([N:24]3[CH2:25][CH2:26][N:27]([c:30]4[cH:31][cH:32][c:33]([NH2:36])[cH:34][cH:35]4)[CH2:28][CH2:29]3)[cH:22][cH:23]2)[OH:39])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

3

Reactant 2

HCID 176Acetic AcidHCID 19830006HCID 19830006, compound

Product 1

HCID 14986929HCID 14986929, compound

Sources & evidence

ORD record
ord-b82113a606994a04b8808cbab0677893
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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