2-(2,6-Dimethylmorpholin-4-yl)ethanamine → [2-[2-(2,6-Dimethylmorpholin-4-yl)ethylcarbamoylamino]-1,3-benzothiazol-6-yl] thiocyanate

반응식

[CH3:23][CH:24]1[O:25][CH:26]([CH3:33])[CH2:27][N:28]([CH2:30][CH2:31][NH2:32])[CH2:29]1.[S:1]([C:2]#[N:3])[c:4]1[cH:5][c:6]2[c:7]([n:8][c:9]([NH:11][C:12]([O:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)=[O:20])[s:10]2)[cH:21][cH:22]1>>[S:1]([C:2]#[N:3])[c:4]1[cH:5][c:6]2[c:7]([n:8][c:9]([NH:11][C:12](=[O:20])[NH:32][CH2:31][CH2:30][N:28]3[CH2:27][CH:26]([CH3:33])[O:25][CH:24]([CH3:23])[CH2:29]3)[s:10]2)[cH:21][cH:22]1

참가 물질

반응물 2

HCID 27564232-(2,6-Dimethylmorpholin-4-yl)ethanamine

HCID 53472570Phenyl(6-thiocyanato-1,3-benzothiazol-2-yl)carbamate

생성물 1

HCID 91341950[2-[2-(2,6-Dimethylmorpholin-4-yl)ethylcarbamoylamino]-1,3-benzothiazol-6-yl] thiocyanate

출처 및 근거

ORD 기록: ord-830350949a66407ba92fb9383d68e6f5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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