Acetic Acid → HCID 178471397, compound

HRID 312378Notes

Reaction equation

HRID 312378 reaction equation
[C:45]([OH:46])(=[O:47])[CH3:48].[C:49]([O:50][BH-:51]([O:52][C:53](=[O:54])[CH3:55])[O:56][C:57](=[O:58])[CH3:59])(=[O:60])[CH3:61].[C:70](=[O:71])([OH:72])[O-:73].[CH:63]([Cl:64])([Cl:65])[Cl:66].[Cl:67][CH2:68][Cl:69].[NH2:1][CH:2]([CH2:3][CH2:4][C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])([CH3:11])[CH3:12])[c:13]1[cH:14][c:15]([F:20])[cH:16][c:17]([F:19])[cH:18]1.[Na+:62].[Na+:74].[O:21]=[C:22]1[NH:23][c:24]2[n:25][cH:26][cH:27][cH:28][c:29]2[C:30]12[CH2:31][c:32]1[c:33]([cH:34][c:35]3[cH:36][c:37]([CH:42]=[O:43])[cH:38][n:39][c:40]3[cH:41]1)[CH2:44]2>>[NH:1]([CH:2]([CH2:3][CH2:4][C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])([CH3:11])[CH3:12])[c:13]1[cH:14][c:15]([F:20])[cH:16][c:17]([F:19])[cH:18]1)[CH2:42][c:37]1[cH:36][c:35]2[cH:34][c:33]3[c:32]([cH:41][c:40]2[n:39][cH:38]1)[CH2:31][C:30]1([C:22](=[O:21])[NH:23][c:24]2[n:25][cH:26][cH:27][cH:28][c:29]21)[CH2:44]3

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 59594349(+/-)-2'-Oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-3-carbaldehydeHCID 178471396HCID 178471396, compound

Product 1

HCID 178471397HCID 178471397, compound

Sources & evidence

ORD record
ord-c9b20a83f0e243678c03bc3499e0340a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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