Acetic Acid → HCID 20817008, compound

HRID 1559562Notes

Reaction equation

HRID 1559562 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH:8]2[CH2:9][CH2:10][CH:11]([n:14]3[n:15][c:16](-[c:24]4[cH:25][cH:26][c:27]([O:30][c:31]5[c:32]([N+:37]([O-:38])=[O:39])[cH:33][cH:34][cH:35][cH:36]5)[cH:28][cH:29]4)[c:17]4[c:18]3[n:19][cH:20][n:21][c:22]4[NH2:23])[CH2:12][CH2:13]2)[CH2:6][CH2:7]1.[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][CH2:45][OH:46]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH:8]2[CH2:9][CH2:10][CH:11]([n:14]3[n:15][c:16](-[c:24]4[cH:25][cH:26][c:27]([O:30][c:31]5[c:32]([NH2:37])[cH:33][cH:34][cH:35][cH:36]5)[cH:28][cH:29]4)[c:17]4[c:18]3[n:19][cH:20][n:21][c:22]4[NH2:23])[CH2:12][CH2:13]2)[CH2:6][CH2:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 702EthanolHCID 20816965HCID 20816965, compound

Product 1

HCID 20817008HCID 20817008, compound

Sources & evidence

ORD record
ord-bc6cda3827e449fd8302956aeece2012
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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