Hydrochloric Acid → HCID 178445342, compound

HRID 210431Notes

Reaction equation

HRID 210431 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([C:19](=[O:20])[OH:21])[CH2:22][CH:23]([CH3:24])[CH3:25].[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[NH:42][NH2:43].[CH2:55]([N:56]=[C:57]=[N:58][CH2:59][CH2:60][CH2:61][N:62]([CH3:63])[CH3:64])[CH3:65].[CH3:26][N:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH3:71][CH2:72][CH2:73][CH2:74][CH2:75][CH3:76].[ClH:33].[ClH:34].[OH2:44].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([C:19](=[O:21])[NH:43][NH:42][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH2:22][CH:23]([CH3:24])[CH3:25]

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8058HexaneHCID 11157(Phenylmethyl)hydrazineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 697110553-[(2-Methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)-6-phenylhex-5-enoic acid

Product 1

HCID 178445342HCID 178445342, compound

Sources & evidence

ORD record
ord-91a842f82efc4254b11a0e866d99cc54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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