Acetic Acid → HCID 15947595, compound

HRID 2144192Notes

Reaction equation

HRID 2144192 reaction equation
[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][C:42](=[O:43])[OH:44].[Cl:1][c:2]1[c:3](-[c:9]2[n:10](-[c:18]3[cH:19][cH:20][c:21](-[c:24]4[cH:25][c:26]([S:30](=[O:31])(=[O:32])[CH3:33])[cH:27][cH:28][cH:29]4)[cH:22][cH:23]3)[cH:11][c:12]([C:14]([CH3:15])([CH3:16])[OH:17])[n:13]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10](-[c:18]3[cH:19][cH:20][c:21](-[c:24]4[cH:25][c:26]([S:30](=[O:31])(=[O:32])[CH3:33])[cH:27][cH:28][cH:29]4)[cH:22][cH:23]3)[cH:11][c:12]([C:14](=[CH2:15])[CH3:16])[n:13]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 1140TolueneHCID 59251431HCID 59251431, compound

Product 1

HCID 15947595HCID 15947595, compound

Sources & evidence

ORD record
ord-fb18e7f43d3f483f9bfefebb8ccb1131
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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