HCID 22136558, 화합물 → HCID 69355100, 화합물

HRID 2151204노트

반응식

HRID 2151204 반응식
[CH3:1][c:2]1[cH:3][c:4]([CH:8]=[CH:9][c:10]2[n:11][n:12]([CH:29]3[O:30][CH2:31][CH2:32][CH2:33][CH2:34]3)[c:13]3[cH:14][c:15]([NH:19][c:20]4[c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][cH:27][cH:28]4)[cH:16][cH:17][c:18]23)[n:5][cH:6][cH:7]1.[CH:35]1([C:38]#[C:39][CH2:40][NH2:41])[CH2:36][CH2:37]1>>[CH3:1][c:2]1[cH:3][c:4]([CH:8]=[CH:9][c:10]2[n:11][n:12]([CH:29]3[O:30][CH2:31][CH2:32][CH2:33][CH2:34]3)[c:13]3[cH:14][c:15]([NH:19][c:20]4[c:21]([C:22](=[O:23])[NH:41][CH2:40][C:39]#[C:38][CH:35]5[CH2:36][CH2:37]5)[cH:25][cH:26][cH:27][cH:28]4)[cH:16][cH:17][c:18]23)[n:5][cH:6][cH:7]1

참가 물질

3

반응물 2

HCID 22136558HCID 22136558, 화합물HCID 693525322-[3-[2-(4-Methyl-pyridin-2-yl)-vinyl]-1-(tetrahydro-pyran-2-yl)-1H-indazol-6-ylamino]-benzoic acid

생성물 1

HCID 69355100HCID 69355100, 화합물

출처 및 근거

ORD 기록
ord-016ed91bc7b2447197ef7420acaf654b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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