Dimethylformamide → 1-[4-(6-Amino-pyrimidin-4-ylmethyl)-phenyl]-3-(4-tert-butyl-phenyl)-urea

반응식

[C:27]([CH3:28])([CH3:29])([CH3:30])[c:31]1[cH:32][cH:33][c:34]([N:37]=[C:38]=[O:39])[cH:35][cH:36]1.[NH2:1][c:2]1[cH:3][c:4]([CH2:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:16]([NH:17][c:18]3[cH:19][cH:20][c:21]([CH2:22][CH3:23])[cH:24][cH:25]3)=[O:26])[cH:13][cH:14]2)[n:5][cH:6][n:7]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[NH2:1][c:2]1[cH:3][c:4]([CH2:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:38]([NH:37][c:34]3[cH:33][cH:32][c:31]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:36][cH:35]3)=[O:39])[cH:13][cH:14]2)[n:5][cH:6][n:7]1

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 27356951-Tert-butyl-4-isocyanatobenzene

HCID 58659424HCID 58659424, 화합물

생성물 1

HCID 586594331-[4-(6-Amino-pyrimidin-4-ylmethyl)-phenyl]-3-(4-tert-butyl-phenyl)-urea

출처 및 근거

ORD 기록: ord-07151ac0d90f4f2cb5fcd8d8bc8c23a4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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