1,2-Dichloroethane → HCID 178454324, compound

HRID 159225Notes

Reaction equation

HRID 159225 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH2:10][CH2:11][CH:12]([CH2:13][NH2:14])[c:15]1[c:16]([F:22])[c:17]([F:21])[cH:18][cH:19][cH:20]1)[C:23](=[O:24])[OH:25])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32].[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[C:71](=[O:72])([OH:73])[O-:74].[CH3:40][C:41](=[O:42])[OH:43].[CH:33](=[O:34])[c:35]1[s:36][cH:37][cH:38][n:39]1.[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[Cl:67][CH2:68][CH2:69][Cl:70].[Cl:76][CH2:77][Cl:78].[Na+:57].[Na+:75]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[c:16]([F:22])[c:17]([F:21])[cH:18][cH:19][cH:20]2)[CH2:13][N:14]([CH2:33][c:35]2[s:36][cH:37][cH:38][n:39]2)[C:23]1=[O:25])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32]

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 2724942TriacetoxyborohydrideHCID 27349031,3-Thiazole-2-carbaldehydeHCID 222932486-Amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(2,3-difluorophenyl)hexanoic acid

Product 1

HCID 178454324HCID 178454324, compound

Sources & evidence

ORD record
ord-aa7c2fa39fa0477b88203625b19038fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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