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Acetic Acid → 2-benzhydryl-5-(1H-indol-5-ylmethylamino)oxan-4-ol

HRID 176755
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HRID 176755 반응식
[CH3:33][C:34](=[O:35])[OH:36].[CH3:56][C:57](=[O:58])[CH3:59].[CH:37]([CH:38]1[CH2:39][CH:40]=[CH:41][CH2:42][O:43]1)([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[NH2:1][CH:2]1[CH:3]([OH:21])[CH2:4][CH:5]([CH:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[O:6][CH2:7]1.[nH:22]1[cH:23][cH:24][c:25]2[cH:26][c:27]([CH:31]=[O:32])[cH:28][cH:29][c:30]12>>[NH:1]([CH:2]1[CH:3]([OH:21])[CH2:4][CH:5]([CH:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[O:6][CH2:7]1)[CH2:31][c:27]1[cH:26][c:25]2[cH:24][cH:23][nH:22][c:30]2[cH:29][cH:28]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 176Acetic AcidHCID 180AcetoneHCID 589040Indole-5-carboxaldehydeHCID 691560162-benzhydryl-3,6-dihydro-2H-pyranHCID 72991015HCID 72991015, 화합물

생성물 1

HCID 729890812-benzhydryl-5-(1H-indol-5-ylmethylamino)oxan-4-ol

출처 및 근거

ORD 기록
ord-1e14005fd90c40cc83dcac3bb41812cf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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