Acetic Acid → HCID 58015859, compound

HRID 159615Notes

Reaction equation

HRID 159615 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[n:18][cH:19][c:20]4[c:21]([n:22]3)[n:23]([CH:28]([CH2:29][CH3:30])[CH2:31][CH3:32])[c:24]([CH:26]=[O:27])[cH:25]4)[cH:14][cH:15]2)[CH2:8][CH2:9]1.[CH2:33]([c:34]1[cH:35][cH:36][cH:37][o:38]1)[NH2:39].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:40][C:41](=[O:42])[OH:43]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[n:18][cH:19][c:20]4[c:21]([n:22]3)[n:23]([CH:28]([CH2:29][CH3:30])[CH2:31][CH3:32])[c:24]([CH2:26][NH:39][CH2:33][c:34]3[cH:35][cH:36][cH:37][o:38]3)[cH:25]4)[cH:14][cH:15]2)[CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 3438FurfurylamineHCID 8028TetrahydrofuranHCID 23624284HCID 23624284, compound

Product 1

HCID 58015859HCID 58015859, compound

Sources & evidence

ORD record
ord-fdb8fd1b4dba48c48972dcf4a0d376f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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