Toluene → HCID 67343593, compound

HRID 1148485Notes

Reaction equation

HRID 1148485 reaction equation
[CH2:44]([P:45]([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH3:56].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH:1]1([CH2:7][CH:8]([OH:9])[c:10]2[cH:11][n:12][c:13](-[c:16]3[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[N:26]([C:27]([N:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1)=[O:34])=[N:35][C:36]([N:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1)=[O:43].[SH:57][c:58]1[cH:59][cH:60][c:61]([C:62](=[O:63])[O:64][CH3:65])[cH:66][cH:67]1>>[CH:1]1([CH2:7][CH:8]([c:10]2[cH:11][n:12][c:13](-[c:16]3[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[cH:14][cH:15]2)[S:57][c:58]2[cH:59][cH:60][c:61]([C:62](=[O:63])[O:64][CH3:65])[cH:66][cH:67]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 13831TributylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 237573Methyl 4-sulfanylbenzoateHCID 59729375HCID 59729375, compound

Product 1

HCID 67343593HCID 67343593, compound

Sources & evidence

ORD record
ord-d59d75a5ccec4dfb9f40645dd2f12978
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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