3-Bromo-1-propanol → 4-{6-(3-[(2-Chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-amino]-propoxy}-pyridin-2-yl)-piperazine-1-carboxylic Acid Tert-Butyl Ester

HRID 306088Notes

Reaction equation

HRID 306088 reaction equation
[Br:69][CH2:70][CH2:71][CH2:72][OH:73].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([OH:20])[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1.[OH:52][c:53]1[cH:54][c:55]([CH2:59][c:60]2[n:61]([CH2:62][O:63][CH2:64][CH3:65])[n:66][n:67][n:68]2)[cH:56][cH:57][cH:58]1.[c:21]1([CH:27]([CH2:28][N:29]([CH2:30][c:31]2[c:32]([Cl:41])[c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]2)[CH2:42][CH2:43][CH2:44][OH:45])[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([O:20][CH2:44][CH2:43][CH2:42][N:29]([CH2:28][CH:27]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[CH2:30][c:31]3[c:32]([Cl:41])[c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 123083-Bromo-1-propanolHCID 577571173-[(2-Chloro-3-trifluoromethyl-benzyl)-diphenylethyl-amino]-propan-1-olHCID 688254685-(3-Hydroxy-benzyl)-ethoxymethyl-1,2,3,4-tetrazoleHCID 178452235HCID 178452235, compound

Product 1

HCID 692532094-{6-(3-[(2-Chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-amino]-propoxy}-pyridin-2-yl)-piperazine-1-carboxylic Acid Tert-Butyl Ester

Sources & evidence

ORD record
ord-8980eade36614dec963568ebaedfe02f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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