Hydrochloric Acid → Hydrochloric Acid

HRID 2323226Notes

Reaction equation

HRID 2323226 reaction equation
[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:69][OH:70].[CH3:74][OH:75].[CH:32](=[O:33])[c:34]1[cH:35][c:36]([C:44]#[N:45])[c:37]2[c:38]([cH:43]1)[O:39][CH2:40][CH2:41][O:42]2.[CH:65]([Cl:66])([Cl:67])[Cl:68].[Cl:71][CH2:72][Cl:73].[ClH:1].[ClH:2].[NH2:3][CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][CH:11]2[CH2:12][n:13]3[c:14](=[O:24])[cH:15][n:16][c:17]4[cH:18][cH:19][c:20](=[O:23])[n:21]2[c:22]34)[CH2:8][CH2:9]1.[Na+:59].[Na+:64].[O-:60][C:61]([OH:62])=[O:63]>>[ClH:1].[NH:3]([CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][CH:11]2[CH2:12][n:13]3[c:14](=[O:24])[cH:15][n:16][c:17]4[cH:18][cH:19][c:20](=[O:23])[n:21]2[c:22]34)[CH2:8][CH2:9]1)[CH2:32][c:34]1[cH:35][c:36]([C:44]#[N:45])[c:37]2[c:38]([cH:43]1)[O:39][CH2:40][CH2:41][O:42]2

Participants

12

Reactant 10

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 57423114HCID 57423114, compoundHCID 582008622-[(4-Aminopiperidin-1-yl)methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

Product 2

HCID 313Hydrochloric AcidHCID 77528919HCID 77528919, compound

Sources & evidence

ORD record
ord-85e912d2b50447f0b7a9f42ed7e2868d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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