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Dimethyl Sulfoxide → 3-(N-acetyl-N-(3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propyl)-amino)benzoic acid ethyl ester

HRID 694137
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HRID 694137 반응식
[CH2:22]([CH3:23])[O:24][C:25]([c:26]1[cH:27][c:28]([NH:32][C:33]([CH3:34])=[O:35])[cH:29][cH:30][cH:31]1)=[O:36].[CH2:39]([C:40]([CH3:41])=[O:42])[CH3:43].[CH3:44][S:45](=[O:46])[CH3:47].[Cl:1][CH2:2][CH2:3][CH2:4][N:5]1[c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[H-:37].[I-:21].[K+:20].[Na+:38].[OH2:48]>>[CH2:2]([CH2:3][CH2:4][N:5]1[c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2)[N:32]([c:28]1[cH:27][c:26]([C:25]([O:24][CH2:22][CH3:23])=[O:36])[cH:31][cH:30][cH:29]1)[C:33]([CH3:34])=[O:35]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 923Sodium IonHCID 962WaterHCID 6569Methyl Ethyl KetoneHCID 30165Iodide IonHCID 166653HydrideHCID 2867795-(3-Chloropropyl)-10,11-dihydro-5H-dibenz[b,f]azepine
HCID 700589Ethyl 3-acetamidobenzoate

생성물 1

HCID 701960133-(N-acetyl-N-(3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propyl)-amino)benzoic acid ethyl ester

출처 및 근거

ORD 기록
ord-b67c72f1feed45a2838362c9d562ec3f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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