Toluene → HCID 22990048, compound

HRID 1116060Notes

Reaction equation

HRID 1116060 reaction equation
[CH2:19]([CH2:20][CH3:21])[O:22][CH2:23][CH2:24][O:25][c:26]1[c:27]([CH2:28][OH:29])[cH:30][cH:31][cH:32][cH:33]1.[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:53]=[C:54]([O:55][CH2:56][CH3:57])[N:58]=[N:59][C:60]([O:61][CH2:62][CH3:63])=[O:64].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13])[CH2:28][c:27]1[c:26]([O:25][CH2:24][CH2:23][O:22][CH2:19][CH2:20][CH3:21])[cH:33][cH:32][cH:31][cH:30]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 22989977Methyl 7-hydroxy-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylateHCID 70023923HCID 70023923, compound

Product 1

HCID 22990048HCID 22990048, compound

Sources & evidence

ORD record
ord-90a8624ea452440481f52404fd08d57e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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