Acetic Acid → HCID 66997394, compound

HRID 176431Notes

Reaction equation

HRID 176431 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:39][C:40](=[O:41])[OH:42].[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13]([CH3:34])[c:14]4[cH:15][cH:16][c:17](-[c:20]5[n:21][n:22]([CH2:25][CH2:26][O:27][CH:28]6[CH2:29][CH2:30][CH2:31][CH2:32][O:33]6)[cH:23][cH:24]5)[cH:18][c:19]34)[n:35]([CH3:38])[c:36]2=[O:37])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[OH2:48]>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13]([CH3:34])[c:14]4[cH:15][cH:16][c:17](-[c:20]5[n:21][n:22]([CH2:25][CH2:26][OH:27])[cH:23][cH:24]5)[cH:18][c:19]34)[n:35]([CH3:38])[c:36]2=[O:37])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 66997900HCID 66997900, compound

Product 1

HCID 66997394HCID 66997394, compound

Sources & evidence

ORD record
ord-011b844f4243424aa031456eb189d185
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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