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Hydrochloric Acid → 4-[5-Chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenoxy]-butyric acid

HRID 1228005
Notes
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Reaction equation

HRID 1228005 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH2:9][O:10][c:11]1[c:12]([S:30](=[O:31])(=[O:32])[N:33]2[c:34]3[c:35]([cH:40][cH:41][cH:42][cH:43]3)[CH2:36][CH2:37][CH2:38][CH2:39]2)[cH:13][c:14](-[c:18]2[cH:19][n:20][c:21]([C:26]([F:27])([F:28])[F:29])[cH:22][c:23]2[C:24]#[N:25])[c:15]([Cl:17])[cH:16]1)=[O:44].[ClH:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[O:5]=[C:6]([CH2:7][CH2:8][CH2:9][O:10][c:11]1[c:12]([S:30](=[O:31])(=[O:32])[N:33]2[c:34]3[c:35]([cH:40][cH:41][cH:42][cH:43]3)[CH2:36][CH2:37][CH2:38][CH2:39]2)[cH:13][c:14](-[c:18]2[cH:19][n:20][c:21]([C:26]([F:27])([F:28])[F:29])[cH:22][c:23]2[C:24]#[N:25])[c:15]([Cl:17])[cH:16]1)[OH:44]
ParticipantsSources & evidenceReaction notes

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 594102404-[5-Chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenoxy]-butyric acid tert-butyl ester

Product 1

HCID 249948994-[5-Chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenoxy]-butyric acid

Sources & evidence

ORD record
ord-19706308eb9c468991441b32c33ff0f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes