Hydrochloric Acid → HCID 67114148, compound

HRID 1206589Notes

Reaction equation

HRID 1206589 reaction equation
[CH2:80]([CH3:81])[O:82][C:83]([CH:84]([CH:85]([CH2:86][CH2:87][CH3:88])[NH2:89])[OH:90])=[O:91].[CH3:72][N:73]1[CH2:74][CH2:75][O:76][CH2:77][CH2:78]1.[CH3:93][N:94]([CH3:95])[CH:96]=[O:97].[CH:1]1([CH:7]([C:8](=[O:9])[NH:10][CH:11]([C:12](=[O:13])[N:14]2[CH:15]([C:23](=[O:24])[OH:25])[CH2:16][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH:22]23)[C:26]([CH3:27])([CH3:28])[CH3:29])[NH:30][C:31](=[O:32])[c:33]2[n:34][cH:35][cH:36][n:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:98][CH2:99][Cl:100].[ClH:79].[OH2:92].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][P+:48]([N:49]2[CH2:50][CH2:51][CH2:52][CH2:53]2)([N:54]2[CH2:55][CH2:56][CH2:57][CH2:58]2)[N:59]2[CH2:60][CH2:61][CH2:62][CH2:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[CH:1]1([CH:7]([C:8](=[O:9])[NH:10][CH:11]([C:12](=[O:13])[N:14]2[CH:15]([C:23](=[O:24])[NH:89][CH:85]([CH:84]([C:83]([O:82][CH2:80][CH3:81])=[O:91])[OH:90])[CH2:86][CH2:87][CH3:88])[CH2:16][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH:22]23)[C:26]([CH3:27])([CH3:28])[CH3:29])[NH:30][C:31](=[O:32])[c:33]2[n:34][cH:35][cH:36][n:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 11321258HCID 11321258, compoundHCID 684917401-(2-{2-Cyclohexyl-2-[(pyrazine-2-carbonyl)-amino]-acetylamino}-3,3-dimethyl-butyryl)-octahydro-indole-2-carboxylic acid

Product 1

HCID 67114148HCID 67114148, compound

Sources & evidence

ORD record
ord-427aa97ef8764bf9b553c5cf9ec9afb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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