Acetic Acid → HCID 178463740, compound

HRID 313471Notes

Reaction equation

HRID 313471 reaction equation
[C:25]([OH:26])(=[O:27])[CH3:28].[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:71](=[O:72])([OH:73])[O-:74].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[CH:64]([Cl:65])([Cl:66])[Cl:67].[Cl:68][CH2:69][Cl:70].[ClH:29].[F:30][c:31]1[cH:32][c:33]([CH:38]([CH3:39])[NH2:40])[cH:34][c:35]([F:37])[cH:36]1.[Na+:63].[Na+:75].[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:40][CH:38]([c:33]4[cH:32][c:31]([F:30])[cH:36][c:35]([F:37])[cH:34]4)[CH3:39])[cH:18][n:19][c:20]3[cH:21]1)[CH2:24]2

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 2724942TriacetoxyborohydrideHCID 2783196(RS)-1-(3,5-Difluorophenyl)ethylamineHCID 59594349(+/-)-2'-Oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-3-carbaldehyde

Product 1

HCID 178463740HCID 178463740, compound

Sources & evidence

ORD record
ord-ec7e2a697c9e41e29be228aee7f0a0f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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