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Hydrochloric Acid → 2-{2-[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol

HRID 1116076
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HRID 1116076 반응식
[C:1](=[O:2])([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][n:15]1[cH:16][cH:17][c:18]2[n:19][cH:20][n:21][c:22]([NH:24][c:25]3[cH:26][c:27]([Cl:40])[c:28]([O:31][CH2:32][c:33]4[cH:34][c:35]([F:39])[cH:36][cH:37][cH:38]4)[cH:29][cH:30]3)[c:23]12.[ClH:43].[Na+:42].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:41]>>[OH:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][n:15]1[cH:16][cH:17][c:18]2[n:19][cH:20][n:21][c:22]([NH:24][c:25]3[cH:26][c:27]([Cl:40])[c:28]([O:31][CH2:32][c:33]4[cH:34][c:35]([F:39])[cH:36][cH:37][cH:38]4)[cH:29][cH:30]3)[c:23]12
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 675207292-{2-[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethyl benzoate

생성물 1

HCID 116910722-{2-[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol

출처 및 근거

ORD 기록
ord-c2e031099e7041b7a9656e2cbab8b57d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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