Toluene → HCID 69544485, compound

HRID 305753Notes

Reaction equation

HRID 305753 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][C:11](=[C:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][c:22]([O:23][CH2:24][CH2:25][N:26]([CH3:27])[CH3:28])[cH:29][cH:30]1)[c:31]1[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]1.[CH3:38][C:39](=[O:40])[Cl:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[OH:8][CH2:9][CH2:10][C:11](=[C:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][c:22]([O:23][CH2:24][CH2:25][N:26]([CH3:27])[CH3:28])[cH:29][cH:30]1)[c:31]1[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6367Acetyl chlorideHCID 8857Ethyl AcetateHCID 69544363HCID 69544363, compound

Product 1

HCID 69544485HCID 69544485, compound

Sources & evidence

ORD record
ord-acbac5b5b944431f840c0619b5fb6d42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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