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Ammonia → (4-Aminomethyl-3-methyl-phenyl)-(1-benzyl-2-methyl-4,5-dihydro-1H-1,3,6-triaza-benzo[e]azulen-6-yl)-methanone

HRID 145360
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HRID 145360 반응식
[BH4-:34].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:33])[n:10][c:11]2[c:17]1-[c:16]1[c:15]([cH:21][cH:20][cH:19][cH:18]1)[N:14]([C:22](=[O:23])[c:24]1[cH:25][c:26]([CH3:32])[c:27]([C:28]#[N:29])[cH:30][cH:31]1)[CH2:13][CH2:12]2.[CH3:37][OH:38].[Co:45]([Cl:46])[Cl:47].[NH3:36].[Na+:35].[OH2:39].[OH2:40].[OH2:41].[OH2:42].[OH2:43].[OH2:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:33])[n:10][c:11]2[c:17]1-[c:16]1[c:15]([cH:21][cH:20][cH:19][cH:18]1)[N:14]([C:22](=[O:23])[c:24]1[cH:25][c:26]([CH3:32])[c:27]([CH2:28][NH2:29])[cH:30][cH:31]1)[CH2:13][CH2:12]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 222AmmoniaHCID 887MethanolHCID 923Sodium IonHCID 962Water6회HCID 24288Cobalt(II) chlorideHCID 28123BorohydrideHCID 575552854-(1-Benzyl-2-methyl-4,5-dihydro-1H-1,3,6-triaza-benzo[e]azulene-6-carbonyl)-2-methyl-benzonitrile

생성물

1
HCID 57555234(4-Aminomethyl-3-methyl-phenyl)-(1-benzyl-2-methyl-4,5-dihydro-1H-1,3,6-triaza-benzo[e]azulen-6-yl)-methanone

출처 및 근거

ORD 기록
ord-77a62d21cafe43c9bb0540afd8a2ece0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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