Benzoic Acid → HCID 25168376, compound

HRID 121288Notes

Reaction equation

HRID 121288 reaction equation
[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[NH2:1][CH:2]1[CH2:3][N:4]([CH:6]2[CH2:7][CH2:8][CH:9]([CH2:12][NH:13][c:14]3[n:15][c:16]([NH:23][CH2:24][c:25]4[c:26]([O:31][C:32]([F:33])([F:34])[F:35])[cH:27][cH:28][cH:29][cH:30]4)[n:17][cH:18][c:19]3[N+:20](=[O:21])[O-:22])[CH2:10][CH2:11]2)[CH2:5]1.[NH:45]=[C:46]=[NH:47].[OH:36][C:37](=[O:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[NH:1]([CH:2]1[CH2:3][N:4]([CH:6]2[CH2:7][CH2:8][CH:9]([CH2:12][NH:13][c:14]3[n:15][c:16]([NH:23][CH2:24][c:25]4[c:26]([O:31][C:32]([F:33])([F:34])[F:35])[cH:27][cH:28][cH:29][cH:30]4)[n:17][cH:18][c:19]3[N+:20](=[O:21])[O-:22])[CH2:10][CH2:11]2)[CH2:5]1)[C:37](=[O:36])[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 160435CarbodiimideHCID 25168243HCID 25168243, compound

Product 1

HCID 25168376HCID 25168376, compound

Sources & evidence

ORD record
ord-6c43eeedb2a8452ab7a2460d5631fb8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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