Hydrochloric Acid → HCID 178453827, compound

HRID 2322524Notes

Reaction equation

HRID 2322524 reaction equation
[C:38]([CH3:39])([CH3:40])([CH3:41])[O:42][C:43](=[O:44])[NH:45][CH:46]([C:47]([CH3:48])([CH3:49])[CH3:50])[C:51]([OH:52])=[O:53].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([NH:11][C:12]([O:14][C:13]([CH3:15])([CH3:16])[CH3:17])=[O:18])[CH2:19][CH:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1)=[O:25].[CH2:76]([N:77]1[CH2:78][CH2:79][O:80][CH2:81][CH2:82]1)[CH3:83].[CH3:65][N:66]([CH3:67])[CH2:68][CH2:69][CH2:70][N:71]=[C:72]=[N:73][CH2:74][CH3:75].[CH3:84][C:85]#[N:86].[Cl:87][CH2:88][Cl:89].[ClH:64].[OH2:26].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1.[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([NH:11][C:12](=[O:14])[CH:46]([NH:45][C:43]([O:42][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:44])[C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:19][CH:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1)=[O:25]

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 7525EthylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 50468592-{[(Tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoic acidHCID 178453144HCID 178453144, compound

Product 1

HCID 178453827HCID 178453827, compound

Sources & evidence

ORD record
ord-9e392954e56345b8881d34326db0b7b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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