Ammonium → HCID 67040267, compound

HRID 2156981Notes

Reaction equation

HRID 2156981 reaction equation
[CH3:48][CH2:49][OH:50].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl-:46].[Fe:63].[NH4+:47].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:56].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16]([NH:17][c:18]1[cH:19][cH:20][c:21]([S:24][c:25]3[c:26]([N+:42]([O-:43])=[O:44])[cH:27][c:28]([C:31]([NH:32][c:33]4[cH:34][n:35][c:36]([O:39][CH3:40])[cH:37][cH:38]4)=[O:41])[cH:29][cH:30]3)[cH:22][cH:23]1)=[O:45])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16]([NH:17][c:18]1[cH:19][cH:20][c:21]([S:24][c:25]3[c:26]([NH2:42])[cH:27][c:28]([C:31]([NH:32][c:33]4[cH:34][n:35][c:36]([O:39][CH3:40])[cH:37][cH:38]4)=[O:41])[cH:29][cH:30]3)[cH:22][cH:23]1)=[O:45])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 23925IronHCID 67040155HCID 67040155, compound

Product 1

HCID 67040267HCID 67040267, compound

Sources & evidence

ORD record
ord-6ce3b527dc704ac9ab44d476db5ce96c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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