Hydrochloric Acid → Hydrochloric Acid

HRID 669300Notes

Reaction equation

HRID 669300 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][C:44]([Cl:45])=[O:46].[ClH:52].[Na+:51].[O-:47][C:48]([OH:49])=[O:50].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([NH:24][c:25]2[s:26][cH:27][c:28]([CH:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[n:29]2)[n:10][cH:11][c:12]([S:14][c:15]2[c:16]3[c:17]([n:18][cH:19][cH:20]2)[cH:21][cH:22][s:23]3)[cH:13]1>>[ClH:45].[ClH:52].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([NH:24][c:25]2[s:26][cH:27][c:28]([CH:30]3[CH2:31][CH2:32][N:33]([C:44]([CH3:43])=[O:46])[CH2:34][CH2:35]3)[n:29]2)[n:10][cH:11][c:12]([S:14][c:15]2[c:16]3[c:17]([n:18][cH:19][cH:20]2)[cH:21][cH:22][s:23]3)[cH:13]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6367Acetyl chlorideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 866314983-phenoxy-N-(4-(piperidin-4-yl)thiazol-2-yl)-5-(thieno[3,2-b]pyridin-7-ylthio)pyridin-2-amine

Product 2

HCID 313Hydrochloric Acid2×HCID 250996521-[4-[2-[(3-Phenoxy-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone

Sources & evidence

ORD record
ord-14942fa7aeed473582ac3e0c9ef5ce4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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