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Hydrochloric Acid → [4-(1H-Indol-3-yl)-butyl]-(7-methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)amine

HRID 96237
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반응식

HRID 96237 반응식
[CH3:27][CH:28]([N:29]=[C:30]=[N:31][CH:32]([CH3:33])[CH3:34])[CH3:35].[CH3:37][O:38][c:39]1[cH:40][cH:41][c:42]2[c:43]([cH:50]1)[O:44][CH:45]([CH2:48][NH2:49])[CH2:46][O:47]2.[ClH:36].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:16].[OH:17][n:18]1[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[n:25][n:26]1.[nH:1]1[cH:2][c:3]([CH2:10][CH2:11][CH2:12][C:13]([OH:14])=[O:15])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[cH:2][c:3]([CH2:10][CH2:11][CH2:12][CH2:13][NH:49][CH2:48][CH:45]2[O:44][c:43]3[c:42]([cH:41][cH:40][c:39]([O:38][CH3:37])[cH:50]3)[O:47][CH2:46]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8617Indole-3-Butyric AcidHCID 12734DiisopropylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 18923874(7-Methoxy-2,3-dihydro-1,4-benzodioxin-2-YL)methanamine

생성물 1

HCID 18923898[4-(1H-Indol-3-yl)-butyl]-(7-methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)amine

출처 및 근거

ORD 기록
ord-3512d75d235d417f86fa5cc4b82275ef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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