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Phenyl isocyanate → 1-(5-(3-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)pyridin-2-ylamino)pyridin-2-yl)-3-phenylurea

HRID 317509
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HRID 317509 반응식
[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:22][c:23]4[cH:24][cH:25][c:26]([NH2:29])[n:27][cH:28]4)[n:18][cH:19][cH:20][cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1.[O:41]=[C:42]=[N:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:22][c:23]4[cH:24][cH:25][c:26]([NH:29][C:42](=[O:41])[NH:43][c:44]5[cH:45][cH:46][cH:47][cH:48][cH:49]5)[n:27][cH:28]4)[n:18][cH:19][cH:20][cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1
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반응물 3

HCID 7672Phenyl isocyanateHCID 8028TetrahydrofuranHCID 66611800N5-(3-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)pyridin-2-yl)pyridine-2,5-diamine

생성물 1

HCID 666119881-(5-(3-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)pyridin-2-ylamino)pyridin-2-yl)-3-phenylurea

출처 및 근거

ORD 기록
ord-1f36105b2f544335a3129c45a76efdb5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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