Acetonitrile → HCID 178459314, 화합물

반응식

[CH3:33][C:34]#[N:35].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]2[c:9]([cH:25][cH:26]1)[N:10]=[C:11]([NH:14][CH:15]1[CH2:16][CH2:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]31)[O:12][CH2:13]2.[NH2:27][CH2:28][C:29]([CH3:30])([OH:31])[CH3:32]>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]2[c:9]([cH:25][cH:26]1)[N:10]=[C:11]([NH:14][CH:15]1[CH2:16][CH2:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]31)[O:12][CH2:13]2)[NH:27][CH2:28][C:29]([CH3:30])([OH:31])[CH3:32]

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 951022-Propanol, 1-amino-2-methyl-

HCID 178520796HCID 178520796, 화합물

생성물 1

HCID 178459314HCID 178459314, 화합물

출처 및 근거

ORD 기록: ord-9fb90eb3e53744d5afcfa9182b4f4a67
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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