Hydrochloric Acid → Hydrochloric Acid

HRID 206077Notes

Reaction equation

HRID 206077 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[C:58](=[O:59])([OH:60])[O-:61].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:67][OH:68].[CH3:72][OH:73].[CH:63]([Cl:64])([Cl:65])[Cl:66].[Cl:69][CH2:70][Cl:71].[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+:57].[Na+:62].[O:32]1[CH2:33][CH2:34][CH2:35][c:36]2[c:37]1[cH:38][n:39][c:40]([CH:42]=[O:43])[cH:41]2>>[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)[CH2:42][c:40]1[n:39][cH:38][c:37]2[c:36]([cH:41]1)[CH2:35][CH2:34][CH2:33][O:32]2

Participants

12

Reactant 10

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 566403113,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehydeHCID 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 775170462-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

Sources & evidence

ORD record
ord-928e516f1a984aceb91ab9f590f90cdc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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