Phenyl isocyanate → 1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea

반응식

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

참가 물질

반응물 2

HCID 7672Phenyl isocyanate

HCID 453790874-(4,6-Dimorpholino-1,3,5-triazin-2-yl)aniline

생성물 1

HCID 445138861-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea

출처 및 근거

ORD 기록: ord-9d1800a75b7742f2a8fae059650fb22b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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