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Bromide ion → 2-[4-(benzyloxy)phenyl]-N-[3-bromo-1-(2-pyrrolidin-1-ylethyl)-1H-indazol-4-yl]acetamide

HRID 196057
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HRID 196057 반응식
[Br-:37].[Br-:38].[Br-:39].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][C:16](=[O:17])[NH:18][c:19]2[c:20]3[cH:21][n:22][n:23]([CH2:28][CH2:29][N:30]4[CH2:31][CH2:32][CH2:33][CH2:34]4)[c:24]3[cH:25][cH:26][cH:27]2)[cH:13][cH:14]1.[CH3:60][OH:61].[ClH:58].[Na+:36].[OH-:35].[OH2:59].[nH+:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[nH+:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[nH+:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][C:16](=[O:17])[NH:18][c:19]2[c:20]3[c:21]([Br:37])[n:22][n:23]([CH2:28][CH2:29][N:30]4[CH2:31][CH2:32][CH2:33][CH2:34]4)[c:24]3[cH:25][cH:26][cH:27]2)[cH:13][cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 259Bromide ion3회HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 4989215Pyridinium3회
HCID 11419666
2-[4-(benzyloxy)phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-4-yl]acetamide

생성물 1

HCID 117207372-[4-(benzyloxy)phenyl]-N-[3-bromo-1-(2-pyrrolidin-1-ylethyl)-1H-indazol-4-yl]acetamide

출처 및 근거

ORD 기록
ord-3103f910b94c492fa5409904bc9d3340
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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