Hydrochloric Acid → Hydrochloric Acid

HRID 684006노트

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HRID 684006 반응식
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([O:21][c:22]3[cH:23][cH:24][c:25](-[n:28]4[n:29][cH:30][n:31][cH:32]4)[cH:26][cH:27]3)[cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[ClH:33].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1>>[ClH:33].[NH:8]1[CH:9]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([O:21][c:22]3[cH:23][cH:24][c:25](-[n:28]4[n:29][cH:30][n:31][cH:32]4)[cH:26][cH:27]3)[cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 69000406Tert-butyl 2-[[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]methyl]pyrrolidine-1-carboxylate

생성물 2

HCID 313Hydrochloric AcidHCID 690016301-[4-[4-(Pyrrolidin-2-ylmethoxy)phenoxy]phenyl]-1,2,4-triazole

출처 및 근거

ORD 기록
ord-73665e4755ac4bdba1fec4a587133b57
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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