Benzene → HCID 70637798, 화합물

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 6342Acetonitrile

HCID 70637887HCID 70637887, 화합물

생성물 1

HCID 70637798HCID 70637798, 화합물

출처 및 근거

ORD 기록: ord-68e5d613784f44ae8a8906bdbbeaf400
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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