Morpholine → N-cyano-N'-(3-{4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-quinazolin-6-yl}-prop-2-ynyl)-morpholine-4-carboxamidine

반응식

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

참가 물질

반응물 2

HCID 8083Morpholine

HCID 178512320HCID 178512320, 화합물

생성물 1

HCID 10053507N-cyano-N'-(3-{4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-quinazolin-6-yl}-prop-2-ynyl)-morpholine-4-carboxamidine

출처 및 근거

ORD 기록: ord-9df9c5de7d5d4ce3b77ef92b6ac7736b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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