Hydrochloric Acid → Hydrochloric Acid

HRID 195869Notes

Reaction equation

HRID 195869 reaction equation
[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:52][OH:53].[CH:48]([Cl:49])([Cl:50])[Cl:51].[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][cH:16][c:17]4[cH:18][cH:19][c:20](=[O:23])[n:21]2[c:22]34)[CH2:8][CH2:9]1.[Na+:47].[O-:43][C:44]([OH:45])=[O:46].[cH:32]1[n:33][c:34]([CH:41]=[O:42])[cH:35][c:36]2[c:37]1[CH2:38][CH2:39][CH2:40]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][cH:16][c:17]4[cH:18][cH:19][c:20](=[O:23])[n:21]2[c:22]34)[CH2:8][CH2:9]1)[CH2:41][c:34]1[n:33][cH:32][c:37]2[c:36]([cH:35]1)[CH2:40][CH2:39][CH2:38]2

Participants

10

Reactant 8

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6212ChloroformHCID 8471TriethylamineHCID 580017221-[(4-Amino-1-piperidinyl)methyl]-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dioneHCID 866420966,7-Dihydro-5H-cyclopenta[c]pyridine-3-carbaldehyde

Product 2

HCID 313Hydrochloric AcidHCID 775289592-[[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethylamino)piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

Sources & evidence

ORD record
ord-ffd37dfc5b9146f0bba3ea6215a46277
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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