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Ammonium → HCID 67040715, compound

HRID 1127940
Notes
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Reaction equation

HRID 1127940 reaction equation
[CH3:47][CH2:48][OH:49].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl-:45].[Fe:62].[NH4+:46].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH2:55].[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+:41]([O-:42])=[O:43])[cH:27][c:28]([C:31]([NH:32][c:33]4[n:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]4)=[O:40])[cH:29][cH:30]3)[cH:22][cH:23]1)=[O:44])[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]([NH2:41])[cH:27][c:28]([C:31]([NH:32][c:33]4[n:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]4)=[O:40])[cH:29][cH:30]3)[cH:22][cH:23]1)=[O:44])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 23925IronHCID 67040866
HCID 67040866, compound

Product 1

HCID 67040715HCID 67040715, compound

Sources & evidence

ORD record
ord-c29a23cf2761470eb9c244485163b72b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes