Hydrochloric Acid → HCID 178465084, compound

HRID 1555727Notes

Reaction equation

HRID 1555727 reaction equation
[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[CH3:57][C:58]([CH3:59])([CH3:60])[O:61][C:62]([CH:63]([NH2:64])[CH3:65])=[O:66].[CH3:68][N:69]([CH3:70])[CH2:71][CH2:72][CH2:73][N:74]=[C:75]=[N:76][CH2:77][CH3:78].[Cl:1][C:2]([CH2:3][n:4]1[cH:5][c:6]([CH2:7][CH:8]([NH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C:17](=[O:18])[OH:19])[n:20][cH:21]1)([C:22](=[O:23])[c:24]1[c:25]([Cl:31])[cH:26][c:27]([Cl:30])[cH:28][cH:29]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:79][CH2:80][Cl:81].[ClH:56].[ClH:67].[OH2:45].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[Cl:1][C:2]([CH2:3][n:4]1[cH:5][c:6]([CH2:7][CH:8]([NH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C:17](=[O:19])[NH:64][CH:63]([C:62]([O:61][C:58]([CH3:57])([CH3:59])[CH3:60])=[O:66])[CH3:65])[n:20][cH:21]1)([C:22](=[O:23])[c:24]1[c:25]([Cl:31])[cH:26][c:27]([Cl:30])[cH:28][cH:29]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 4351123Tert-butyl 2-aminopropanoateHCID 1784533263-[1-[2-chloro-3-(2,4-dichlorophenyl)-3-oxo-2-phenylpropyl]imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Product 1

HCID 178465084HCID 178465084, compound

Sources & evidence

ORD record
ord-0d11758386a9486382d0087c93bfc218
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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