Hydrochloric Acid → HCID 178428907, compound

HRID 1561059Notes

Reaction equation

HRID 1561059 reaction equation
[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]([CH2:28][CH:29]([C:30](=[O:31])[OH:32])[c:33]1[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]1)[CH2:40][CH:41]1[CH2:42][CH2:43]1.[CH2:77]([Cl:78])[Cl:79].[CH3:3][CH:4]1[CH2:5][CH:6]([OH:19])[c:7]2[n:8][cH:9][n:10][c:11]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[c:12]21.[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[ClH:1].[ClH:2].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[CH3:3][CH:4]1[CH2:5][CH:6]([OH:19])[c:7]2[n:8][cH:9][n:10][c:11]([N:13]3[CH2:14][CH2:15][N:16]([C:30]([CH:29]([CH2:28][N:27]([C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:26])[CH2:40][CH:41]4[CH2:42][CH2:43]4)[c:33]4[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]4)=[O:31])[CH2:17][CH2:18]3)[c:12]21

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 666180462-(4-Chlorophenyl)-3-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acidHCID 685203895-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

Product 1

HCID 178428907HCID 178428907, compound

Sources & evidence

ORD record
ord-6e5d64aaa4a74a44af3f0b9d4982d4a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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