Toluene → HCID 69252373, compound

HRID 1145324Notes

Reaction equation

HRID 1145324 reaction equation
[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[N:39]1[CH2:40][CH2:41][N:42]([c:45]2[cH:46][c:47]([OH:51])[cH:48][cH:49][cH:50]2)[CH2:43][CH2:44]1.[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][OH:9])[CH2:10][CH:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26][c:27]1[C:28]([F:29])([F:30])[F:31].[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:47]2[cH:46][c:45]([N:42]3[CH2:41][CH2:40][N:39]([C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:38])[CH2:44][CH2:43]3)[cH:50][cH:49][cH:48]2)[CH2:10][CH:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26][c:27]1[C:28]([F:29])([F:30])[F:31]

Participants

5

Reactant 4

HCID 1140TolueneHCID 11776TriphenylphosphineHCID 18669061tert-Butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylateHCID 577571173-[(2-Chloro-3-trifluoromethyl-benzyl)-diphenylethyl-amino]-propan-1-ol

Product 1

HCID 69252373HCID 69252373, compound

Sources & evidence

ORD record
ord-76ca783894974fad89dbad73afb52189
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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