Toluene → HCID 178421502, compound

HRID 101158Notes

Reaction equation

HRID 101158 reaction equation
[Br:10][CH2:11][C:12]([CH:13]1[CH2:14][CH2:15][CH:16]2[CH:17]3[CH2:18][CH2:19][CH:20]4[CH2:21][CH:22]([OH:33])[CH2:23][CH2:24][C:25]4([CH3:26])[CH:27]3[C:28](=[O:32])[CH2:29][C:30]12[CH3:31])=[O:34].[CH3:35][CH:36]([OH:37])[CH3:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Na:9].[c:1]1([CH2:7][SH:8])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][S:8][CH2:11][C:12]([CH:13]2[CH2:14][CH2:15][CH:16]3[CH:17]4[CH2:18][CH2:19][CH:20]5[CH2:21][CH:22]([OH:33])[CH2:23][CH2:24][C:25]5([CH3:26])[CH:27]4[C:28](=[O:32])[CH2:29][C:30]23[CH3:31])=[O:34])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 3776IsopropanolHCID 7509Benzyl mercaptanHCID 5360545SodiumHCID 178421489HCID 178421489, compound

Product 1

HCID 178421502HCID 178421502, compound

Sources & evidence

ORD record
ord-3226548dcba14697bcce858201d124f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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