Acetonitrile → Coumate

HRID 1549341노트

반응식

HRID 1549341 반응식
[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:26][C:27]#[N:28].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([CH3:13])[cH:7][c:8](=[O:12])[o:9][c:10]2[cH:11]1.[S:14]([NH2:15])(=[O:16])(=[O:17])[Cl:18]>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([CH3:13])[cH:7][c:8](=[O:12])[o:9][c:10]2[cH:11]1)[S:14]([NH2:15])(=[O:16])=[O:17]

참가 물질

5

반응물 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 24499Chlorosulfamic acidHCID 52805674-Methylumbelliferone

생성물 1

HCID 9859866Coumate

출처 및 근거

ORD 기록
ord-470db6591a484b78b89d2a22bc026b61
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

반응 노트

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