Toluene → HCID 58270746, compound

HRID 2159370Notes

Reaction equation

HRID 2159370 reaction equation
[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:47]=[C:48]([O:49][CH2:50][CH3:51])[N:52]=[N:53][C:54]([O:55][CH2:56][CH3:57])=[O:58].[OH:1][CH:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)[CH2:6][CH2:7]1.[c:17]1(-[c:23]2[n:24][n:25][n:26][nH:27]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1.[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH:2]1([n:26]2[n:25][n:24][c:23](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:27]2)[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 58270786HCID 58270786, compoundHCID 178418369HCID 178418369, compound

Product 1

HCID 58270746HCID 58270746, compound

Sources & evidence

ORD record
ord-2f25de1c3f7f4bcbba7aceb726b176b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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