Benzonitrile, 3-(bromomethyl)- → HCID 58636738, 화합물

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

참가 물질

반응물 2

HCID 97249Benzonitrile, 3-(bromomethyl)-

HCID 58636800HCID 58636800, 화합물

생성물 1

HCID 58636738HCID 58636738, 화합물

출처 및 근거

ORD 기록: ord-ed4ddd53c69a4ac78dc640786e2a1f7b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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