Acetone → HCID 67438095, compound

HRID 153586Notes

Reaction equation

HRID 153586 reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH2:62]([Cl:63])[Cl:64].[CH3:1][C:2]([CH3:3])=[O:4].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:5][c:6]1[cH:7][cH:8][c:9]([CH:12]([CH2:13][NH2:14])[c:15]2[cH:16][nH:17][c:18]3[cH:19][c:20](-[c:24]4[c:25]5[c:26]([n:27][cH:28][n:29]4)[CH2:30][CH2:31][CH:32]5[CH3:33])[cH:21][cH:22][c:23]23)[cH:10][cH:11]1.[Na+:56].[Na+:61].[O-:57][C:58]([OH:59])=[O:60]>>[CH3:1][CH:2]([CH3:3])[NH:14][CH2:13][CH:12]([c:9]1[cH:8][cH:7][c:6]([Cl:5])[cH:11][cH:10]1)[c:15]1[cH:16][nH:17][c:18]2[cH:19][c:20](-[c:24]3[c:25]4[c:26]([n:27][cH:28][n:29]3)[CH2:30][CH2:31][CH:32]4[CH3:33])[cH:21][cH:22][c:23]12

Participants

8

Reactant 7

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 2724942TriacetoxyborohydrideHCID 67437089HCID 67437089, compound

Product 1

HCID 67438095HCID 67438095, compound

Sources & evidence

ORD record
ord-2d4e8c9a68204ac9beb3d5c2179abc2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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