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Dichloromethane → 5-[2-Methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenyl]-pentanoic Acid Methyl Ester

HRID 304723
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HRID 304723 반응식
[CH3:19][n:20]1[n:21][cH:22][c:23]2[c:29]1[NH:28][c:27]1[c:26]([cH:33][cH:32][cH:31][cH:30]1)[NH:25][CH2:24]2.[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][CH2:7][CH2:8][c:9]1[c:10]([CH3:18])[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][N:42]([c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1)[CH3:49].[Cl:50][CH2:51][Cl:52]>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][CH2:7][CH2:8][c:9]1[c:10]([CH3:18])[cH:11][c:12]([C:13](=[O:15])[N:25]2[CH2:24][c:23]3[cH:22][n:21][n:20]([CH3:19])[c:29]3[NH:28][c:27]3[c:26]2[cH:33][cH:32][cH:31][cH:30]3)[cH:16][cH:17]1
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반응물 5

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 575553514-(4-Methoxycarbonyl-butyl)-3-methyl-benzoic AcidHCID 1357419771-Methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine

생성물 1

HCID 136128364
5-[2-Methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenyl]-pentanoic Acid Methyl Ester

출처 및 근거

ORD 기록
ord-f19ec70a46114f0685dbbe77e60b9f01
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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