O-Xylene → HCID 69005021, compound

HRID 194281Notes

Reaction equation

HRID 194281 reaction equation
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[N+:39](=[O:40])([O-:41])[c:42]1[cH:43][cH:44][cH:45][c:46]2[c:51]1[C:49](=[O:50])[O:48][C:47]2=[O:52].[O:1]=[C:2]1[N:3]([c:12]2[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19][c:20]2[CH:21]=[CH:22][c:23]2[n:24][nH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]23)[C:4](=[O:11])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[c:53]1([CH3:54])[c:55]([CH3:56])[cH:57][cH:58][cH:59][cH:60]1>>[O:1]=[C:2]1[N:3]([c:12]2[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19][c:20]2[CH:21]=[CH:22][c:23]2[n:24][nH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]23)[C:4](=[O:11])[c:5]2[cH:6][cH:7][cH:8][c:9]([N+:39](=[O:40])[O-:41])[c:10]21

Participants

5

Reactant 4

HCID 7237O-XyleneHCID 8471TriethylamineHCID 216313-Nitrophthalic anhydrideHCID 68998211HCID 68998211, compound

Product 1

HCID 69005021HCID 69005021, compound

Sources & evidence

ORD record
ord-63e322a78f864432bc70c66e2a0e35e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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