tert-Butanol → 2-{4-[(5-Chloro-benzo[b]thiophen-2-ylmethyl)-(2,2,2-trifluoro-ethyl)-amino]-phenyl}-1,1,1,3,3,3-hexafluoro-propan-2-ol

HRID 2148970Notes

Reaction equation

HRID 2148970 reaction equation
[C:35]([OH:36])([CH3:37])([CH3:38])[CH3:39].[Cl:23][c:24]1[cH:25][c:26]2[c:27]([s:28][c:29]([CH2:31][Cl:32])[cH:30]2)[cH:33][cH:34]1.[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([NH:15][CH2:16][C:17]([F:18])([F:19])[F:20])[cH:13][cH:14]1)([F:21])[F:22]>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([N:15]([CH2:16][C:17]([F:18])([F:19])[F:20])[CH2:31][c:29]2[s:28][c:27]3[c:26]([cH:25][c:24]([Cl:23])[cH:34][cH:33]3)[cH:30]2)[cH:13][cH:14]1)([F:21])[F:22]

Participants

4

Reactant 3

HCID 6386tert-ButanolHCID 4479111,1,1,3,3,3-Hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-olHCID 151337565-Chloro-2-chloromethyl-benzo[b]thiophene

Product 1

HCID 115337382-{4-[(5-Chloro-benzo[b]thiophen-2-ylmethyl)-(2,2,2-trifluoro-ethyl)-amino]-phenyl}-1,1,1,3,3,3-hexafluoro-propan-2-ol

Sources & evidence

ORD record
ord-709c8f5a7aba4158bbcbf8f420d2cfd5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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