Ammonium → HCID 67040595, compound

HRID 159529Notes

Reaction equation

HRID 159529 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][cH:10][c:11]([S:14][c:15]2[c:16]([N+:31]([O-:32])=[O:33])[cH:17][c:18]([C:21]([NH:22][c:23]3[cH:24][cH:25][c:26]([Br:29])[cH:27][cH:28]3)=[O:30])[cH:19][cH:20]2)[cH:12][cH:13]1)=[O:34].[CH3:38][CH2:39][OH:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl-:35].[Fe:47].[NH4+:36].[OH2:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][cH:10][c:11]([S:14][c:15]2[c:16]([NH2:31])[cH:17][c:18]([C:21]([NH:22][c:23]3[cH:24][cH:25][c:26]([Br:29])[cH:27][cH:28]3)=[O:30])[cH:19][cH:20]2)[cH:12][cH:13]1)=[O:34]

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 8857Ethyl AcetateHCID 23925IronHCID 67040851HCID 67040851, compound

Product 1

HCID 67040595HCID 67040595, compound

Sources & evidence

ORD record
ord-8a001f5d2a6e4faabaa0ca986e7989d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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