Hydrochloric Acid → HCID 178503679, compound

HRID 1214376Notes

Reaction equation

HRID 1214376 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[C:13]([CH3:14])([S:15][CH3:16])[CH3:17].[CH2:46]1[CH2:47][CH2:48][C:49]2=[N:54][CH2:53][CH2:52][CH2:51][N:50]2[CH2:55][CH2:56]1.[CH3:30][c:31]1[n:32][cH:33][c:34]2[n:35]1[C:36](=[O:45])[N:37]([CH:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1)[CH2:38]2.[CH3:57][C:58]#[N:59].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[ClH:28].[ClH:29].[OH:18][n:19]1[c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[n:26][n:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[N:42]1[CH2:41][CH2:40][CH:39]([N:37]2[C:36](=[O:45])[n:35]3[c:31]([CH3:30])[n:32][cH:33][c:34]3[CH2:38]2)[CH2:44][CH2:43]1)[C:13]([CH3:14])([S:15][CH3:16])[CH3:17]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 223242793-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acidHCID 230840155-methyl-2-(4-piperidinyl)-1,2-dihydro-3H-imidazo[1,5-c]imidazol-3-one

Product 1

HCID 178503679HCID 178503679, compound

Sources & evidence

ORD record
ord-5770697b606642bebbb80743f1e7cdfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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