Hydrochloric Acid → Hydrochloric Acid

HRID 2149638Notes

Reaction equation

HRID 2149638 reaction equation
[C:39](=[O:40])([OH:41])[O-:42].[CH2:90]([Cl:91])[Cl:92].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH3:22])[c:6]([S:10](=[O:11])(=[O:12])[N:13]([CH3:14])[CH2:15][CH2:16][O:17][CH2:18][C:19](=[O:20])[OH:21])[c:7]([CH3:9])[cH:8]1.[CH3:93][CH2:94][N:95]([CH2:96][CH3:97])[CH2:98][CH3:99].[ClH:23].[ClH:24].[ClH:44].[NH:83]1[CH2:84][CH2:85][CH2:86][CH2:87][C:88]1=[O:89].[Na+:43].[n:25]1[cH:26][c:27]([CH2:31][C:32]2([OH:38])[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:28][cH:29][cH:30]1.[n:45]1[cH:46][cH:47][cH:48][c:49]([C:50]2([OH:51])[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]2)[cH:57]1.[n:58]1[cH:59][cH:60][c:61]([C:62]2([OH:63])[CH2:64][CH2:65][NH:66][CH2:67][CH2:68]2)[cH:69][cH:70]1.[s:71]1[cH:72][cH:73][cH:74][c:75]1[C:76]1([OH:77])[CH2:78][CH2:79][NH:80][CH2:81][CH2:82]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH3:22])[c:6]([S:10](=[O:11])(=[O:12])[N:13]([CH3:14])[CH2:15][CH2:16][O:17][CH2:18][C:19](=[O:21])[N:35]2[CH2:34][CH2:33][C:32]([CH2:31][c:27]3[cH:26][n:25][cH:30][cH:29][cH:28]3)([OH:38])[CH2:37][CH2:36]2)[c:7]([CH3:9])[cH:8]1.[ClH:23]

Participants

13

Reactant 11

HCID 313Hydrochloric Acid3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 126652-PiperidoneHCID 37269594-(4-Pyridinyl)-4-piperidinolHCID 49891674-(Pyridin-3-yl)piperidin-4-olHCID 14441129HCID 14441129, compoundHCID 46870354{2-[(4-methoxy-2,6-dimethyl-benzenesulfonyl)-methyl-amino]-ethoxy}acetic AcidHCID 688011584-(Pyridin-3-ylmethyl)piperidin-4-ol

Product 2

HCID 313Hydrochloric AcidHCID 59820145N-[2-[2-[4-hydroxy-4-(pyridin-3-ylmethyl)piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide

Sources & evidence

ORD record
ord-714caff9a8454d29930258c8fbf72269
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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