Hydrochloric Acid → HCID 136166656, compound

HRID 2345439Notes

Reaction equation

HRID 2345439 reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[C:55](=[O:56])([O-:57])[OH:58].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24](-[c:26]4[n:27][n:28][c:29]([CH:31]=[O:32])[s:30]4)[nH:25]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[ClH:33].[Na+:54].[Na+:59].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[S:34]1(=[O:40])[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24](-[c:26]4[n:27][n:28][c:29]([CH2:31][N:37]5[CH2:36][CH2:35][S:34](=[O:40])[CH2:39][CH2:38]5)[s:30]4)[nH:25]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 12600299Thiomorpholine 1-oxideHCID 1361666495-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3,4-thiadiazole-2-carbaldehyde

Product 1

HCID 136166656HCID 136166656, compound

Sources & evidence

ORD record
ord-6ececb70ce394feb90339cc5ef105f06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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