Carbamic acid, 4-pyridinyl-, phenyl ester → 1-Methyl-3-{4-[4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-6-{4-[(pyridin-4-ylcarbamoyl)amino]phenyl}-1,3,5-triazin-2-yl]phenyl}urea

반응식

[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10](-[c:22]3[cH:23][cH:24][c:25]([NH:28][C:29](=[O:30])[NH:31][CH3:32])[cH:26][cH:27]3)[n:11][c:12]([N:14]3[CH2:15][CH:16]4[CH2:17][CH2:18][CH:19]([CH2:20]3)[O:21]4)[n:13]2)[cH:6][cH:7]1.[n:33]1[cH:34][cH:35][c:36]([NH:39][C:40]([O:41][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)=[O:42])[cH:37][cH:38]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10](-[c:22]3[cH:23][cH:24][c:25]([NH:28][C:29](=[O:30])[NH:31][CH3:32])[cH:26][cH:27]3)[n:11][c:12]([N:14]3[CH2:15][CH:16]4[CH2:17][CH2:18][CH:19]([CH2:20]3)[O:21]4)[n:13]2)[cH:6][cH:7]1)[C:40]([NH:39][c:36]1[cH:35][cH:34][n:33][cH:38][cH:37]1)=[O:41]

참가 물질

반응물 2

HCID 11401617Carbamic acid, 4-pyridinyl-, phenyl ester

HCID 674372231-(4-(4-(4-Aminophenyl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl)phenyl)-3-methylurea

생성물 1

HCID 674379081-Methyl-3-{4-[4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-6-{4-[(pyridin-4-ylcarbamoyl)amino]phenyl}-1,3,5-triazin-2-yl]phenyl}urea

출처 및 근거

ORD 기록: ord-2f52a08141d94ec388d44852bd40d207
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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