Pyridine → 1-Benzo[1,3]dioxol-5-yl-3-(4-benzoxazol-2-yl-pyridin-2-yl)-urea

반응식

[CH2:17]1[O:18][c:19]2[cH:20][c:21]([N:26]=[C:27]=[O:28])[cH:22][cH:23][c:24]2[O:25]1.[cH:29]1[cH:30][cH:31][n:32][cH:33][cH:34]1.[o:1]1[c:2](-[c:10]2[cH:11][c:12]([NH2:16])[n:13][cH:14][cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[c:2](-[c:10]2[cH:11][c:12]([NH:16][C:27]([NH:26][c:21]3[cH:20][c:19]4[c:24]([cH:23][cH:22]3)[O:25][CH2:17][O:18]4)=[O:28])[n:13][cH:14][cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

참가 물질

반응물 3

HCID 1049Pyridine

HCID 52232135-Isocyanato-1,3-dioxaindane

HCID 596799644-Benzoxazol-2-yl-pyridin-2-ylamine

생성물 1

HCID 596799911-Benzo[1,3]dioxol-5-yl-3-(4-benzoxazol-2-yl-pyridin-2-yl)-urea

출처 및 근거

ORD 기록: ord-460023df7ab649998764323d48deff69
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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