Hydrochloric Acid → [4-[4-[2-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoyl]-1,4-diazepan-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl] 4-nitrobenzoate

HRID 135555Notes

Reaction equation

HRID 135555 reaction equation
[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36](=[O:37])[N:38]([CH2:39][CH:40]([C:41](=[O:42])[OH:43])[c:44]1[cH:45][cH:46][c:47]([Cl:50])[cH:48][cH:49]1)[CH:51]([CH3:52])[CH3:53].[Cl:54][CH2:55][Cl:56].[ClH:1].[N+:2](=[O:3])([O-:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[O:11][CH:12]2[CH2:13][CH:14]([CH3:28])[c:15]3[c:16]2[n:17][cH:18][n:19][c:20]3[N:21]2[CH2:22][CH2:23][NH:24][CH2:25][CH2:26][CH2:27]2)[cH:29][cH:30]1.[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[cH:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[N+:2](=[O:3])([O-:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[O:11][CH:12]2[CH2:13][CH:14]([CH3:28])[c:15]3[c:16]2[n:17][cH:18][n:19][c:20]3[N:21]2[CH2:22][CH2:23][N:24]([C:41]([CH:40]([CH2:39][N:38]([C:36]([O:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:37])[CH:51]([CH3:52])[CH3:53])[c:44]3[cH:45][cH:46][c:47]([Cl:50])[cH:48][cH:49]3)=[O:42])[CH2:25][CH2:26][CH2:27]2)[cH:29][cH:30]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 251786973-{[(tert-Butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acidHCID 67436387[4-(1,4-diazepan-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl] 4-nitrobenzoate

Product 1

HCID 67437826[4-[4-[2-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoyl]-1,4-diazepan-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl] 4-nitrobenzoate

Sources & evidence

ORD record
ord-fc43d7ee2c8c432ca54bd55f4b944188
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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