Hydrochloric Acid → HCID 178483179, compound

HRID 157169Notes

Reaction equation

HRID 157169 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH:10]([C:11](=[O:12])[OH:13])[CH2:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[cH:23][cH:24]1.[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:47][NH:48][CH2:49][CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[Cl:68][CH2:69][Cl:70].[ClH:35].[Na+:62].[OH2:71].[OH:25][c:26]1[c:27]2[n:28][n:29][nH:30][c:31]2[n:32][cH:33][cH:34]1.[S:57]([O-:58])([OH:59])(=[O:60])=[O:61]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH:10]([C:11](=[O:13])[N:48]([CH3:47])[CH2:49][CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH2:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[cH:23][cH:24]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 11503N-MethylbenzeneethanamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 61778Sulfate, hydrogenHCID 223269722-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-naphthalen-2-ylpropanoic acidHCID 1785164692,3-dihydrotriazolo[4,5-b]pyridin-7-one

Product 1

HCID 178483179HCID 178483179, compound

Sources & evidence

ORD record
ord-bdbe1f3aef3047d2a3e0ab2aeba562d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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