Hydrochloric Acid → HCID 178483480, compound

HRID 1145386Notes

Reaction equation

HRID 1145386 reaction equation
[Br:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][OH:21].[CH2:63]([c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[O:70][C:71]([CH2:72][CH:73]([CH2:74][N:75]([CH3:76])[CH3:77])[NH2:78])=[O:79].[ClH:61].[ClH:62].[Na:1].[c:22]1([S:28](=[O:29])(=[O:30])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][OH:40])[cH:23][cH:24][cH:25][cH:26][cH:27]1.[c:2]1([S:3]([OH:4])=[O:5])[cH:6][cH:7][cH:8][cH:9][cH:10]1.[c:41]1([S:42]([CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][C:51]([OH:52])=[O:53])(=[O:54])=[O:55])[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[c:22]1([S:28](=[O:29])(=[O:30])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][C:39](=[O:40])[NH:78][CH:73]([CH2:72][C:71]([O:70][CH2:63][c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)=[O:79])[CH2:74][N:75]([CH3:76])[CH3:77])[cH:23][cH:24][cH:25][cH:26][cH:27]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 12057Benzenesulfinic acidHCID 1087001-Nonanol, 9-bromo-HCID 5360545SodiumHCID 114929471-Nonanol, 9-(phenylsulfonyl)-HCID 58352734HCID 58352734, compoundHCID 66874843Benzyl 3-amino-4-(dimethylamino)butanoate

Product 1

HCID 178483480HCID 178483480, compound

Sources & evidence

ORD record
ord-7d27a60e2cb841b998d8d5360c26458f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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