Toluene → HCID 22989941, compound

HRID 1148206Notes

Reaction equation

HRID 1148206 reaction equation
[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[O:46]=[C:47]([O:48][CH2:49][CH3:50])[N:51]=[N:52][C:53]([O:54][CH2:55][CH3:56])=[O:57].[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:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1.[n:19]1[cH:20][c:21]([CH2:25][OH:26])[cH:22][cH:23][cH:24]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])[CH2:25][c:21]1[cH:20][n:19][cH:24][cH:23][cH:22]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 75103-PyridinemethanolHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 22989977Methyl 7-hydroxy-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate

Product 1

HCID 22989941HCID 22989941, compound

Sources & evidence

ORD record
ord-427241b40ef048648392a3fc76b7946b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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