Water → Ethyl (1,3-benzothiazol-6-yl)acetate

HRID 209800

반응식

HRID 209800 반응식
[CH3:17][CH:18]([CH2:19][CH2:20][O:21][N:22]=[O:23])[CH3:24].[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[NH2:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:10]2.[OH2:25]>>[cH:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:10]2

참가 물질

5

반응물 4

HCID 962WaterHCID 6228DimethylformamideHCID 8053Isoamyl NitriteHCID 821202(2-Amino-benzothiazol-6-yl)-acetic acid ethyl ester

생성물 1

HCID 23377495Ethyl (1,3-benzothiazol-6-yl)acetate

출처 및 근거

ORD 기록
ord-dea351aca0384af8b8988f21c899be27
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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