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Dichloromethane → [4-(6-Chloro-3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-cyclohexylmethyl]-carbamic Acid Tert-butyl Ester

HRID 1544325
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HRID 1544325 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH:10]1[CH2:11][CH2:12][CH:13]([C:16](=[O:17])[OH:18])[CH2:14][CH2:15]1.[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[Cl:28][c:29]1[cH:30][cH:31][c:32]2[c:33]([cH:43]1)[NH:34][c:35]1[n:36]([CH3:42])[n:37][cH:38][c:39]1[CH2:40][NH:41]2.[Cl:44][CH2:45][Cl:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH:10]1[CH2:11][CH2:12][CH:13]([C:16](=[O:18])[N:41]2[c:32]3[cH:31][cH:30][c:29]([Cl:28])[cH:43][c:33]3[NH:34][c:35]3[n:36]([CH3:42])[n:37][cH:38][c:39]3[CH2:40]2)[CH2:14][CH2:15]1
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참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 736918(1r,4r)-4-((((Tert-butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acidHCID 1357360546-Chloro-3-methyl-3,4,9,10-tetrahydro-2,3,4,9-tetraaza-benzo[f]azulene

생성물 1

HCID 136128395[4-(6-Chloro-3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-cyclohexylmethyl]-carbamic Acid Tert-butyl Ester

출처 및 근거

ORD 기록
ord-8e1a602c05534818873a01ce50b4f10a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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