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Ammonium → {4-[2-Amino-4-(4-bromo-phenylcarbamoyl)-phenylsulfanyl]-phenyl}-carbamic acid 2,2,2-trichloro-ethyl ester

HRID 320009
Notes
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Reaction equation

HRID 320009 reaction equation
[CH3:44][CH2:45][OH:46].[Cl-:36].[Cl:1][C:2]([CH2:3][O:4][C:5]([NH:6][c:7]1[cH:8][cH:9][c:10]([S:13][c:14]2[c:15]([N+:30]([O-:31])=[O:32])[cH:16][c:17]([C:20]([NH:21][c:22]3[cH:23][cH:24][c:25]([Br:28])[cH:26][cH:27]3)=[O:29])[cH:18][cH:19]2)[cH:11][cH:12]1)=[O:33])([Cl:34])[Cl:35].[Fe:47].[NH4+:37].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:43]>>[Cl:1][C:2]([CH2:3][O:4][C:5]([NH:6][c:7]1[cH:8][cH:9][c:10]([S:13][c:14]2[c:15]([NH2:30])[cH:16][c:17]([C:20]([NH:21][c:22]3[cH:23][cH:24][c:25]([Br:28])[cH:26][cH:27]3)=[O:29])[cH:18][cH:19]2)[cH:11][cH:12]1)=[O:33])([Cl:34])[Cl:35]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 8028TetrahydrofuranHCID 23925IronHCID 67040512{4-[4-(4-Bromo-phenylcarbamoyl)-2-nitro-phenylsulfanyl]-phenyl}-carbamic acid 2,2,2-trichloro-ethyl ester

Product 1

HCID 67040806{4-[2-Amino-4-(4-bromo-phenylcarbamoyl)-phenylsulfanyl]-phenyl}-carbamic acid 2,2,2-trichloro-ethyl ester

Sources & evidence

ORD record
ord-b37ac8b534f74c5eade1df44cab29b7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes