1,2-Dichloroethane → Hydrochloric Acid

HRID 287270Notes

Reaction equation

HRID 287270 reaction equation
[C:45]1(=[O:49])[CH2:46][CH2:47][CH2:48]1.[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[C:75](=[O:76])([O-:77])[OH:78].[CH3:2][O:3][c:4]1[cH:5][c:6]([CH3:37])[c:7]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([CH2:24][C:25](=[O:26])[N:27]4[CH2:28][CH2:29][C:30]5([CH2:31][CH2:32][NH:33][CH2:34]5)[CH2:35][CH2:36]4)[cH:22][c:23]32)[c:8]([CH3:10])[cH:9]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:64][C:65](=[O:66])[OH:67].[Cl:68][CH2:69][CH2:70][Cl:71].[Cl:72][CH2:73][Cl:74].[ClH:1].[Na+:63].[Na+:79]>>[CH3:2][O:3][c:4]1[cH:5][c:6]([CH3:37])[c:7]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([CH2:24][C:25](=[O:26])[N:27]4[CH2:28][CH2:29][C:30]5([CH2:31][CH2:32][N:33]([CH:45]6[CH2:46][CH2:47][CH2:48]6)[CH2:34]5)[CH2:35][CH2:36]4)[cH:22][c:23]32)[c:8]([CH3:10])[cH:9]1.[ClH:1]

Participants

12

Reactant 10

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 14496CyclobutanoneHCID 2724942TriacetoxyborohydrideHCID 59483852HCID 59483852, compound

Product 2

HCID 313Hydrochloric AcidHCID 468970951-(2-cyclobutyl-2,8-diazaspiro[4.5]decan-8-yl)-2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanone

Sources & evidence

ORD record
ord-9e86348031384778ae2d2e5c4b8ecdf1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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