Toluene → HCID 72241859, compound

HRID 1209053Notes

Reaction equation

HRID 1209053 reaction equation
[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:3]1([O:8][C:9]([CH:10]([CH2:11][CH:12]=[CH:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[s:21][c:22]([NH:28][C:29]([NH2:30])=[O:31])[c:23]([C:25]([NH2:26])=[O:27])[cH:24]3)[cH:18][cH:19]2)[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:4][CH2:5][CH2:6][CH2:7]1.[CH:41]([OH:42])([CH3:43])[CH3:44].[H:1][H:2]>>[CH:3]1([O:8][C:9]([CH:10]([CH2:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[s:21][c:22]([NH:28][C:29]([NH2:30])=[O:31])[c:23]([C:25]([NH2:26])=[O:27])[cH:24]3)[cH:18][cH:19]2)[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 3776IsopropanolHCID 178418361HCID 178418361, compoundHCID 178453373HCID 178453373, compound

Product 1

HCID 72241859HCID 72241859, compound

Sources & evidence

ORD record
ord-5af8dc952f7243b89ade30c986d5e003
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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