HCID 86752417, 화합물 → HCID 67660705, 화합물

반응식

[K:47][C:48]#[N:49].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O:7][CH2:11][CH:12]2[CH2:13][C:14]([OH:38])([c:39]3[c:40]([F:45])[cH:41][cH:42][cH:43][cH:44]3)[CH:15]3[CH2:16][N:17]([C:21]([CH2:22][c:23]4[c:24]([O:29][CH2:30][c:31]5[cH:32][cH:33][cH:34][cH:35][cH:36]5)[cH:25][cH:26][cH:27][cH:28]4)=[O:37])[CH2:18][CH:19]3[CH2:20]2)(=[O:8])=[O:9])[cH:10][cH:46]1>>[CH2:11]([CH:12]1[CH2:13][C:14]([OH:38])([c:39]2[c:40]([F:45])[cH:41][cH:42][cH:43][cH:44]2)[CH:15]2[CH2:16][N:17]([C:21]([CH2:22][c:23]3[c:24]([O:29][CH2:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:25][cH:26][cH:27][cH:28]3)=[O:37])[CH2:18][CH:19]2[CH2:20]1)[C:48]#[N:49]

참가 물질

반응물 2

HCID 86752417HCID 86752417, 화합물

HCID 178511842HCID 178511842, 화합물

생성물 1

HCID 67660705HCID 67660705, 화합물

출처 및 근거

ORD 기록: ord-3e3b4b8fe2a44a969a1a27fd6b7a3e3d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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