Acetic Acid → HCID 57955592, compound

HRID 1567673Notes

Reaction equation

HRID 1567673 reaction equation
[BH3:53].[C:54]([OH:55])(=[O:56])[CH3:57].[CH3:58][OH:59].[Cl:38][CH2:39][Cl:40].[NH:1]1[CH2:2][CH:3]([NH:5][C:6]([c:7]2[c:8]([F:36])[cH:9][c:10]([NH:15][c:16]3[n:17][cH:18][c:19]4[c:20]([n:35]3)[N:21]([CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34]3)[CH2:22][C:23]([F:28])([F:29])[C:24](=[O:27])[N:25]4[CH3:26])[c:11]([O:13][CH3:14])[cH:12]2)=[O:37])[CH2:4]1.[O:41]=[C:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[n:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[N:1]1([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46]2)[CH2:2][CH:3]([NH:5][C:6]([c:7]2[c:8]([F:36])[cH:9][c:10]([NH:15][c:16]3[n:17][cH:18][c:19]4[c:20]([n:35]3)[N:21]([CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34]3)[CH2:22][C:23]([F:28])([F:29])[C:24](=[O:27])[N:25]4[CH3:26])[c:11]([O:13][CH3:14])[cH:12]2)=[O:37])[CH2:4]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 1049PyridineHCID 6331BoraneHCID 6344DichloromethaneHCID 8452CyclopentanoneHCID 57955666HCID 57955666, compound

Product 1

HCID 57955592HCID 57955592, compound

Sources & evidence

ORD record
ord-7c307713d0cc499391b963bad261b9f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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