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Hydrochloric Acid → 1-(2-[6-Methyl-8-[4-(1-phenyl-1H-pyrazol-3-ylmethyl)-[1,4]diazepan-1-yl]-quinolin-7-yloxy]-acetyl)-azetidine-3-carboxylic Acid

HRID 678943
Notes
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Reaction equation

HRID 678943 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][N:7]([C:9]([CH2:10][O:11][c:12]2[c:13]([CH3:41])[cH:14][c:15]3[cH:16][cH:17][cH:18][n:19][c:20]3[c:21]2[N:22]2[CH2:23][CH2:24][N:25]([CH2:29][c:30]3[n:31][n:32](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:33][cH:34]3)[CH2:26][CH2:27][CH2:28]2)=[O:42])[CH2:8]1.[ClH:45].[Na+:44].[OH-:43]>>[O:2]=[C:3]([OH:4])[CH:5]1[CH2:6][N:7]([C:9]([CH2:10][O:11][c:12]2[c:13]([CH3:41])[cH:14][c:15]3[cH:16][cH:17][cH:18][n:19][c:20]3[c:21]2[N:22]2[CH2:23][CH2:24][N:25]([CH2:29][c:30]3[n:31][n:32](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:33][cH:34]3)[CH2:26][CH2:27][CH2:28]2)=[O:42])[CH2:8]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 593661781-(2-{6-Methyl-8-[4-(1-phenyl-1H-pyrazol-3-ylmethyl)-[1,4]diazepan-1-yl]-quinolin-7-yloxy}-acetyl)-azetidine-3-carboxylic acid methyl ester

Product 1

HCID 46203412
1-(2-[6-Methyl-8-[4-(1-phenyl-1H-pyrazol-3-ylmethyl)-[1,4]diazepan-1-yl]-quinolin-7-yloxy]-acetyl)-azetidine-3-carboxylic Acid

Sources & evidence

ORD record
ord-457210070c244486b9e15f79f5abf669
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes