Acetic Acid → HCID 10196601, compound

HRID 149825Notes

Reaction equation

HRID 149825 reaction equation
[CH3:37][C:38]([OH:39])=[O:40].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][c:12]([CH2:16][C:17](=[O:18])[OH:19])[cH:13][cH:14][cH:15]2)[CH2:20][CH:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[OH:28])[cH:29][cH:30][cH:31][c:32]1[C:33]([F:34])([F:35])[F:36].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][c:12]([CH2:16][C:17](=[O:18])[OH:19])[cH:13][cH:14][cH:15]2)[CH2:20][CH:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[O:28][C:38]([CH3:37])=[O:39])[cH:29][cH:30][cH:31][c:32]1[C:33]([F:34])([F:35])[F:36]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 1140TolueneHCID 11776TriphenylphosphineHCID 10174704HCID 10174704, compound

Product 1

HCID 10196601HCID 10196601, compound

Sources & evidence

ORD record
ord-120e1ed0891d4b4592ae5658eebf99c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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