Hydrochloric Acid → HCID 178465457, compound

HRID 2340569Notes

Reaction equation

HRID 2340569 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH3:13].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[Cl:57][CH2:58][Cl:59].[ClH:38].[ClH:39].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[n:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1.[n:40]1[c:41]([C:46]2([NH2:49])[CH2:47][CH2:48]2)[n:42][cH:43][cH:44][cH:45]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[NH:49][C:46]1([c:41]2[n:40][cH:45][cH:44][cH:43][n:42]2)[CH2:47][CH2:48]1)[CH3:13]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 2684712-N-Boc-aminopropionic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 569656591-(Pyrimidin-2-yl)cyclopropan-1-amine

Product 1

HCID 178465457HCID 178465457, compound

Sources & evidence

ORD record
ord-0e35481027ef40ab87ff82dab8d68d7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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