Acetate → HCID 178514276, compound

HRID 683306Notes

Reaction equation

HRID 683306 reaction equation
[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[OH2:44].[OH2:58].[OH2:59].[OH:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Zn+2:64].[c:1]1([CH2:7][CH2:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][c:14]2[cH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[cH:22][cH:23]2)[C:24](=[O:25])[CH:26]2[C:27](=[O:35])[N:28]([NH2:34])[CH:29]2[O:30][C:31](=[O:32])[CH3:33])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[c:1]1([CH2:7][CH2:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][c:14]2[cH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[cH:22][cH:23]2)[C:24](=[O:25])[CH:26]2[C:27](=[O:35])[N:28]([NH2:34])[CH:29]2[O:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 241BenzeneHCID 244Benzyl AlcoholHCID 962Water3×HCID 1140TolueneHCID 32051Zinc(2+)HCID 178475514HCID 178475514, compound

Product 1

HCID 178514276HCID 178514276, compound

Sources & evidence

ORD record
ord-b86a1a858a344ac9949a384862986311
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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