Acetic Acid → HCID 57955586, compound

HRID 692112Notes

Reaction equation

HRID 692112 reaction equation
[BH3:50].[CH3:38][OH:39].[CH3:40][C:41]([CH3:42])=[O:43].[CH3:51][C:52](=[O:53])[OH:54].[Cl:55][CH2:56][Cl:57].[NH:1]1[CH2:2][CH:3]([NH:5][C:6]([c:7]2[cH:8][c:9]([O:35][CH3:36])[c:10]([NH:13][c:14]3[n:15][cH:16][c:17]4[c:18]([n:34]3)[N:19]([CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]3)[CH2:20][C:21]([F:26])([F:27])[C:22](=[O:25])[N:23]4[CH3:24])[cH:11][cH:12]2)=[O:37])[CH2:4]1.[n:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[N:1]1([CH:41]([CH3:40])[CH3:42])[CH2:2][CH:3]([NH:5][C:6]([c:7]2[cH:8][c:9]([O:35][CH3:36])[c:10]([NH:13][c:14]3[n:15][cH:16][c:17]4[c:18]([n:34]3)[N:19]([CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]3)[CH2:20][C:21]([F:26])([F:27])[C:22](=[O:25])[N:23]4[CH3:24])[cH:11][cH:12]2)=[O:37])[CH2:4]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 887MethanolHCID 1049PyridineHCID 6331BoraneHCID 6344DichloromethaneHCID 25254000HCID 25254000, compound

Product 1

HCID 57955586HCID 57955586, compound

Sources & evidence

ORD record
ord-72eb6a742d244646ade228ebebdb6dd5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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