Acetic Acid → HCID 10132423, compound

HRID 174014Notes

Reaction equation

HRID 174014 reaction equation
[CH3:29][OH:30].[CH3:31][C:32](=[O:33])[OH:34].[CH3:41][OH:42].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Cl:43][CH2:44][Cl:45].[Fe:40].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]2[c:10]([cH:11][cH:12][c:13]1[O:14][CH:15]([CH2:16][n:17]1[cH:18][n:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[C:9](=[O:28])[CH2:8][CH2:7][CH2:6]2.[Na+:39].[O-:35][C:36]([OH:37])=[O:38].[OH2:52]>>[NH2:1][c:4]1[c:5]2[c:10]([cH:11][cH:12][c:13]1[O:14][CH:15]([CH2:16][n:17]1[cH:18][n:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[C:9](=[O:28])[CH2:8][CH2:7][CH2:6]2

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 23925IronHCID 22324743HCID 22324743, compound

Product 1

HCID 10132423HCID 10132423, compound

Sources & evidence

ORD record
ord-a6d59ddaf03948999a2a78e4bb670303
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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