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Hydrochloric Acid → 4-[4-[4-[4-(2,6-Dimethylmorpholin-4-yl)phenyl]piperazin-1-yl]phenyl]benzoic acid

HRID 2154740
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반응식

HRID 2154740 반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([c:23]4[cH:24][cH:25][c:26]([N:29]5[CH2:30][CH:31]([CH3:36])[O:32][CH:33]([CH3:35])[CH2:34]5)[cH:27][cH:28]4)[CH2:21][CH2:22]3)[cH:15][cH:16]2)[cH:9][cH:10]1.[CH3:39][OH:40].[ClH:41].[Na+:38].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:37].[OH2:42]>>[O:2]=[C:3]([OH:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([c:23]4[cH:24][cH:25][c:26]([N:29]5[CH2:30][CH:31]([CH3:36])[O:32][CH:33]([CH3:35])[CH2:34]5)[cH:27][cH:28]4)[CH2:21][CH2:22]3)[cH:15][cH:16]2)[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 56977257Methyl 4-[4-[4-[4-(2,6-dimethylmorpholin-4-yl)phenyl]piperazin-1-yl]phenyl]benzoate

생성물 1

HCID 224947154-[4-[4-[4-(2,6-Dimethylmorpholin-4-yl)phenyl]piperazin-1-yl]phenyl]benzoic acid

출처 및 근거

ORD 기록
ord-97b5b53a49d544d39868fb4250612b34
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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