Hydrochloric Acid → Hydrochloric Acid

HRID 1558631노트

반응식

HRID 1558631 반응식
[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:11]2[n:12][c:13](-[c:16]3[cH:17][c:18]4[c:19]([cH:32][cH:33]3)[CH2:20][CH2:21][N:22]([C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH2:23][CH2:24]4)[n:14][o:15]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[ClH:40].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:11]2[n:12][c:13](-[c:16]3[cH:17][c:18]4[c:19]([cH:32][cH:33]3)[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]4)[n:14][o:15]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[ClH:40]

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 684667951,1-Dimethylethyl 7-{5-[3-cyano-4-(methyloxy)phenyl]-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate

생성물 2

HCID 313Hydrochloric AcidHCID 441290622-methoxy-5-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

출처 및 근거

ORD 기록
ord-133c6f3e4e2f425687f84c31904d7b58
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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