Acetic Acid → HCID 69045355, compound

HRID 1123581Notes

Reaction equation

HRID 1123581 reaction equation
[C:36]([OH:37])(=[O:38])[CH3:39].[CH2:34]=[O:35].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]3[c:12]([c:13](=[O:32])[n:14]([CH2:17][c:18]4[n:19][c:20]([O:24][CH2:25][CH:26]5[NH:27][CH2:28][CH2:29][CH2:30][CH2:31]5)[cH:21][cH:22][cH:23]4)[n:15][cH:16]3)[s:33]2)[cH:7][cH:8]1.[CH3:40][OH:41].[Cl:42][CH2:43][Cl:44]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]3[c:12]([c:13](=[O:32])[n:14]([CH2:17][c:18]4[n:19][c:20]([O:24][CH2:25][CH:26]5[N:27]([CH3:36])[CH2:28][CH2:29][CH2:30][CH2:31]5)[cH:21][cH:22][cH:23]4)[n:15][cH:16]3)[s:33]2)[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 6344DichloromethaneHCID 69095268HCID 69095268, compound

Product 1

HCID 69045355HCID 69045355, compound

Sources & evidence

ORD record
ord-21598bdb77c5473fadca045a98c1ff34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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