Benzoic Acid → HCID 22218642, compound

HRID 175223Notes

Reaction equation

HRID 175223 reaction equation
[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[O:49]=[C:50]([O:51][CH2:52][CH3:53])[N:54]=[N:55][C:56]([O:57][CH2:58][CH3:59])=[O:60].[OH:20][C:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)=[O:28].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:29]1[c:30]([CH:39]2[CH2:40][CH:41]([OH:48])[c:42]3[cH:43][cH:44][cH:45][cH:46][c:47]32)[cH:31][cH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]12>>[cH:29]1[c:30]([CH:39]2[CH2:40][C:41](=[O:48])[c:42]3[cH:43][cH:44][cH:45][cH:46][c:47]32)[cH:31][cH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]12

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 22218644HCID 22218644, compound

Product 1

HCID 22218642HCID 22218642, compound

Sources & evidence

ORD record
ord-e551d78763de4ece936cd0b37e400dde
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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