Acetic Acid → HCID 11693007, compound

HRID 1234998Notes

Reaction equation

HRID 1234998 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:11])[N:12]([CH2:13][CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][C:19](=[O:22])[CH2:20][CH2:21]2)[c:23]2[cH:24][c:25]([Cl:30])[c:26]([Cl:29])[cH:27][cH:28]2)[CH2:8][CH2:9]1.[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].[C:57](=[O:58])([O-:59])[OH:60].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:39][C:40](=[O:41])[OH:42].[NH2:31][c:32]1[cH:33][cH:34][c:35]([F:36])[cH:37][cH:38]1.[Na+:56].[Na+:61]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:11])[N:12]([CH2:13][CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][CH:19]([NH:31][c:32]3[cH:33][cH:34][c:35]([F:36])[cH:37][cH:38]3)[CH2:20][CH2:21]2)[c:23]2[cH:24][c:25]([Cl:30])[c:26]([Cl:29])[cH:27][cH:28]2)[CH2:8][CH2:9]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 97314-FluoroanilineHCID 2724942TriacetoxyborohydrideHCID 11518124HCID 11518124, compound

Product 1

HCID 11693007HCID 11693007, compound

Sources & evidence

ORD record
ord-916b37fab613446481de09f81ed665f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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