Heptane → HCID 178425608, compound

HRID 1232477Notes

Reaction equation

HRID 1232477 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[NH:9][CH:10]([c:13]2[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]2)[S:11][CH2:12]1.[CH3:20][c:21]1[cH:22][c:23]([NH:27][C:28]([NH:29][CH2:30][C:31](=[O:32])[OH:33])=[O:34])[cH:24][cH:25][cH:26]1.[CH3:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[CH:35]1([N:36]=[C:37]=[N:38][CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([C:31]([CH2:30][NH:29][C:28]([NH:27][c:23]2[cH:22][c:21]([CH3:20])[cH:26][cH:25][cH:24]2)=[O:34])=[O:32])[CH:10]([c:13]2[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]2)[S:11][CH2:12]1

Participants

5

Reactant 4

HCID 8900HeptaneHCID 10868DicyclohexylcarbodiimideHCID 149969602-{[(3-Methylphenyl)carbamoyl]amino}acetic acidHCID 19043010HCID 19043010, compound

Product 1

HCID 178425608HCID 178425608, compound

Sources & evidence

ORD record
ord-9a96f6c6d289481882fc3165c6d38476
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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