Acetonitrile → HCID 178425609, compound

HRID 2320765Notes

Reaction equation

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

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 10868Dicyclohexylcarbodiimide

HCID 149969602-{[(3-Methylphenyl)carbamoyl]amino}acetic acid

HCID 178420132HCID 178420132, compound

Product 1

HCID 178425609HCID 178425609, compound

Sources & evidence

ORD record: ord-b0e106e2d7184993a3b3355e868830d2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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