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Dichloromethane → 1-(5-(3-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-5-chloropyridin-2-ylamino)pyridin-2-yl)-3-(4-(2-methoxyethoxy)phenyl)urea

HRID 147742
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HRID 147742 반응식
[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:23][c:24]4[cH:25][cH:26][c:27]([NH2:30])[n:28][cH:29]4)[n:18][cH:19][c:20]([Cl:22])[cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[cH:40][cH:41]1.[CH3:42][O:43][CH2:44][CH2:45][O:46][c:47]1[cH:48][cH:49][c:50]([NH:53][C:54]([O:55][c:57]2[cH:58][cH:59][c:60]([N+:61]([O-:62])=[O:63])[cH:64][cH:65]2)=[O:56])[cH:51][cH:52]1.[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[Cl:73][CH2:74][Cl:75]>>[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:23][c:24]4[cH:25][cH:26][c:27]([NH:30][C:54]([NH:53][c:50]5[cH:49][cH:48][c:47]([O:46][CH2:45][CH2:44][O:43][CH3:42])[cH:52][cH:51]5)=[O:55])[n:28][cH:29]4)[n:18][cH:19][c:20]([Cl:22])[cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[cH:40][cH:41]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 666006494-Nitrophenyl 4-(2-methoxyethoxy)phenylcarbamateHCID 66612096HCID 66612096, 화합물

생성물 1

HCID 666121101-(5-(3-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-5-chloropyridin-2-ylamino)pyridin-2-yl)-3-(4-(2-methoxyethoxy)phenyl)urea

출처 및 근거

ORD 기록
ord-2172b634352f402d984691ac1b980596
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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