4-Nitrobenzoic Acid → HCID 178524295, compound

HRID 2153199Notes

Reaction equation

HRID 2153199 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([CH2:7][N+:8](=[O:9])[O-:10])[CH:11]2[CH:12]([OH:17])[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:18][cH:19]1.[N+:39](=[O:40])([O-:41])[c:42]1[cH:43][cH:44][c:45]([C:46](=[O:47])[OH:48])[cH:49][cH:50]1.[O:51]=[C:52]([O:53][CH2:54][CH3:55])[N:56]=[N:57][C:58]([O:59][CH2:60][CH3:61])=[O:62].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([CH2:7][N+:8](=[O:9])[O-:10])[CH:11]2[CH:12]([O:17][C:46]([c:45]3[cH:44][cH:43][c:42]([N+:39](=[O:40])[O-:41])[cH:50][cH:49]3)=[O:47])[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:18][cH:19]1

Participants

6

Reactant 5

HCID 61084-Nitrobenzoic AcidHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 70378373HCID 70378373, compound

Product 1

HCID 178524295HCID 178524295, compound

Sources & evidence

ORD record
ord-bbee41d7aad549849981c9d0b97b2da2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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