Benzene → HCID 77514543, 화합물

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[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH:9]([CH2:10][O:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1)[OH:18])[CH:19]([CH:20]([CH:21]([CH2:22][c:23]1[cH:24][c:25]([F:30])[cH:26][c:27]([F:29])[cH:28]1)[N:31]([CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[O:46][CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH2:54][OH:55])=[O:56].[CH2:57]([P:58]([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH3:69].[cH:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]1[CH2:8][CH:9]([CH2:10][O:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[O:55][CH2:54][CH:19]1[CH:20]([CH:21]([CH2:22][c:23]1[cH:24][c:25]([F:30])[cH:26][c:27]([F:29])[cH:28]1)[N:31]([CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[O:46][CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)=[O:56]

참가 물질

반응물 3

HCID 241Benzene

HCID 13831Tributylphosphine

HCID 178453772HCID 178453772, 화합물

생성물 1

HCID 77514543HCID 77514543, 화합물

출처 및 근거

ORD 기록: ord-8e25982a76b64cf19158eb90199bfaf2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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