Acetic Acid → HCID 178475359, compound

HRID 2350541Notes

Reaction equation

HRID 2350541 reaction equation
[C:65]([OH:66])(=[O:67])[CH3:68].[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[O:53]=[C:54]([O:55][CH2:56][CH3:57])[N:58]=[N:62][C:63]([O:59][CH2:60][CH3:61])=[O:64].[c:1]1(-[c:7]2[n:8][c:9]([CH:18]3[N:19]([C:24](=[O:25])[O:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH2:20][CH:21]([OH:23])[CH2:22]3)[o:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[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>>[c:1]1(-[c:7]2[n:8][c:9]([CH:18]3[N:19]([C:24](=[O:25])[O:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH2:20][CH:21]([O:23][C:60](=[O:59])[CH3:61])[CH2:22]3)[o:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 178525160HCID 178525160, compound

Product 1

HCID 178475359HCID 178475359, compound

Sources & evidence

ORD record
ord-f6d512f437de4dc7a79d54c76a3ad461
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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