Hydrochloric Acid → N-[2,6-Bis(1-methylethyl)-4-phenoxyphenyl]thiourea

HRID 1135607Notes

Reaction equation

HRID 1135607 reaction equation
[CH3:28][c:29]1[c:30]([CH3:31])[cH:32][cH:33][cH:34][cH:35]1.[ClH:1].[ClH:27].[Na+:22].[O:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[c:9]1[cH:10][c:11]([CH:19]([CH3:20])[CH3:21])[c:12]([NH2:13])[c:14]([CH:16]([CH3:17])[CH3:18])[cH:15]1.[OH2:26].[S-:23][C:24]#[N:25]>>[O:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[c:9]1[cH:10][c:11]([CH:19]([CH3:20])[CH3:21])[c:12]([NH:13][C:24](=[S:23])[NH2:25])[c:14]([CH:16]([CH3:17])[CH3:18])[cH:15]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 962WaterHCID 7237O-XyleneHCID 9322ThiocyanateHCID 132721392,6-Bis(1-methylethyl)-4-phenoxybenzenamine

Product 1

HCID 15753006N-[2,6-Bis(1-methylethyl)-4-phenoxyphenyl]thiourea

Sources & evidence

ORD record
ord-3ff200fd6eff40b791c937952d484b53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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