Acetic Acid → HCID 70498603, compound

HRID 2330275Notes

Reaction equation

HRID 2330275 reaction equation
[C:30]([OH:31])(=[O:32])[CH3:33].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl:1][c:2]1[c:3]([CH:16]=[O:17])[c:4]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[n:5][cH:6][cH:7]1.[NH2:18][CH2:19][CH2:20][CH2:21][NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29]>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[NH:8][C:9](=[O:15])[N:18]1[CH:16]2[N:22]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:21][CH2:20][CH2:19]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 1140TolueneHCID 2735700tert-Butyl (3-aminopropyl)carbamateHCID 46204204tert-Butyl 4-chloro-3-formylpyridin-2-ylcarbamate

Product 1

HCID 70498603HCID 70498603, compound

Sources & evidence

ORD record
ord-8eb43c98a8564c0fb95e52141ba109b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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