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Hydrochloric Acid → 3,3-Dimethyl-2-{3-[(pyrrolidine-1-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

HRID 2329120
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반응식

HRID 2329120 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([NH:22][C:23](=[O:24])[N:25]3[CH2:26][CH2:27][CH2:28][CH2:29]3)[cH:19][cH:20][cH:21]1)[C:10]([CH3:30])([CH3:31])[CH2:9]2.[CH3:33][OH:34].[ClH:32].[Na+:41].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:40].[OH2:42]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([NH:22][C:23](=[O:24])[N:25]3[CH2:26][CH2:27][CH2:28][CH2:29]3)[cH:19][cH:20][cH:21]1)[C:10]([CH3:30])([CH3:31])[CH2:9]2
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참가 물질

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반응물 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 674433643,3-Dimethyl-2-{3-[(pyrrolidine-1-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

생성물

1
HCID 534925803,3-Dimethyl-2-{3-[(pyrrolidine-1-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

출처 및 근거

ORD 기록
ord-7d0671f29ca046478fcf106285f2cf1a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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