Acetic Acid → HCID 68698137, compound

HRID 671475Notes

Reaction equation

HRID 671475 reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[CH2:41]=[O:42].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:33](=[O:34])[O:35][CH3:36])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:29][cH:30][cH:31][cH:32]2)[CH:18]([NH:21][CH2:22][CH2:23][N:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)[CH2:19][CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:43][CH2:44][Cl:45]>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:33](=[O:34])[O:35][CH3:36])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:29][cH:30][cH:31][cH:32]2)[CH:18]([N:21]([CH2:22][CH2:23][N:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)[CH3:37])[CH2:19][CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 712FormaldehydeHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 68697362HCID 68697362, compound

Product 1

HCID 68698137HCID 68698137, compound

Sources & evidence

ORD record
ord-8e28ade5f50948b793cc7f876a17b354
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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