Hydrochloric Acid → HCID 70823941, compound

HRID 1129235Notes

Reaction equation

HRID 1129235 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:38](=[O:39])[OH:40])[CH2:11][CH:12]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[c:21]2[c:22]([NH:31][CH2:32][c:33]3[o:34][cH:35][cH:36][cH:37]3)[n:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[n:25][cH:26]2)[CH2:13]1.[CH3:52][C:53]1([OH:59])[CH2:54][CH2:55][NH:56][CH2:57][CH2:58]1.[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[CH3:67][C:68]#[N:69].[ClH:51].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:38](=[O:39])[N:56]2[CH2:55][CH2:54][C:53]([CH3:52])([OH:59])[CH2:58][CH2:57]2)[CH2:11][CH:12]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[c:21]2[c:22]([NH:31][CH2:32][c:33]3[o:34][cH:35][cH:36][cH:37]3)[n:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[n:25][cH:26]2)[CH2:13]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 156491744-Methylpiperidin-4-olHCID 684314495-[[2-Tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

Product 1

HCID 70823941HCID 70823941, compound

Sources & evidence

ORD record
ord-cda1c4ab0e8e4e30bcb3e33c3a630a36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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