Hydrochloric Acid → HCID 178428903, compound

HRID 284887Notes

Reaction equation

HRID 284887 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH:13]([C:14](=[O:15])[OH:16])[c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH2:10][CH2:11][CH2:12]1.[CH2:76]([Cl:77])[Cl:78].[CH3:26][CH:27]1[CH2:28][CH:29]([OH:42])[c:30]2[n:31][cH:32][n:33][c:34]([N:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[c:35]21.[CH:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51].[ClH:24].[ClH:25].[P-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[cH:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH:13]([C:14](=[O:15])[N:39]2[CH2:38][CH2:37][N:36]([c:34]3[n:33][cH:32][n:31][c:30]4[c:35]3[CH:27]([CH3:26])[CH2:28][CH:29]4[OH:42])[CH2:41][CH2:40]2)[c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH2:10][CH2:11][CH2:12]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 685203895-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-olHCID 685224982-(4-Chlorophenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid

Product 1

HCID 178428903HCID 178428903, compound

Sources & evidence

ORD record
ord-49a98183c32547e88a207edfb11567cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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