Acetic Acid → HCID 178499092, compound

HRID 191006Notes

Reaction equation

HRID 191006 reaction equation
[C:25]([OH:26])(=[O:27])[CH3:28].[C:60]([O:61][BH-:62]([O:63][C:64](=[O:65])[CH3:66])[O:67][C:68](=[O:69])[CH3:70])(=[O:71])[CH3:72].[C:81](=[O:82])([OH:83])[O-:84].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[CH:74]([Cl:75])([Cl:76])[Cl:77].[Cl:78][CH2:79][Cl:80].[ClH:29].[ClH:30].[NH2:31][CH2:32][CH:33]([CH2:34][NH:35][C:36]1([C:41](=[O:42])[O:43][CH3:44])[CH2:37][CH2:38][CH2:39][CH2:40]1)[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Na+:73].[Na+:85].[O:1]=[C:2]1[NH:3][c:4]2[n:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][c:12]1[c:13]([cH:14][c:15]3[cH:16][c:17]([CH:22]=[O:23])[cH:18][n:19][c:20]3[cH:21]1)[CH2:24]2>>[O:1]=[C:2]1[NH:3][c:4]2[n:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][c:12]1[c:13]([cH:14][c:15]3[cH:16][c:17]([CH2:22][NH:31][CH2:32][CH:33]([CH2:34][NH:35][C:36]4([C:41](=[O:42])[O:43][CH3:44])[CH2:37][CH2:38][CH2:39][CH2:40]4)[c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[cH:18][n:19][c:20]3[cH:21]1)[CH2:24]2

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 2724942TriacetoxyborohydrideHCID 58550607Methyl 1-[(3-amino-2-phenylpropyl)amino]cyclopentane-1-carboxylateHCID 59594349(+/-)-2'-Oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-3-carbaldehyde

Product 1

HCID 178499092HCID 178499092, compound

Sources & evidence

ORD record
ord-415da8757100418fab893b8c2fab315a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…