2-(3-Methylphenyl)ethan-1-amine → {4-[2-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-(2-m-tolyl-ethylcarbamoyl)-phenylsulfanyl]-phenyl}-carbamic acid tert-butyl ester

HRID 178462

반응식

HRID 178462 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([NH:25][c:26]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[n:32][c:33]([CH:36]([CH3:37])[CH3:38])[cH:34][cH:35]4)[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24]2)[cH:13][cH:14]1.[c:39]1([CH3:48])[cH:40][c:41]([CH2:45][CH2:46][NH2:47])[cH:42][cH:43][cH:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([NH:25][c:26]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[n:32][c:33]([CH:36]([CH3:37])[CH3:38])[cH:34][cH:35]4)[cH:18][c:19]([C:20](=[O:22])[NH:47][CH2:46][CH2:45][c:41]3[cH:40][c:39]([CH3:48])[cH:44][cH:43][cH:42]3)[cH:23][cH:24]2)[cH:13][cH:14]1

참가 물질

3

반응물 2

HCID 4100852-(3-Methylphenyl)ethan-1-amineHCID 593768924-(4-tert-Butoxycarbonylamino-phenylsulfanyl)-3-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzoic acid

생성물 1

HCID 67040599{4-[2-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-(2-m-tolyl-ethylcarbamoyl)-phenylsulfanyl]-phenyl}-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-159b1a077f0f49eb80a517fb558780e9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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