Isopropanol → 2-(3-Dimethylaminomethyl-phenylamino)-8-indan-5-yl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester

HRID 147537

반응식

HRID 147537 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](=[O:29])[c:8]2[c:9]([n:10][c:11]([S:14]([CH3:15])(=[O:16])=[O:17])[n:12][cH:13]2)[n:18](-[c:20]2[cH:21][c:22]3[c:26]([cH:27][cH:28]2)[CH2:25][CH2:24][CH2:23]3)[cH:19]1.[CH3:30][N:31]([CH3:32])[CH2:33][c:34]1[cH:35][c:36]([NH2:40])[cH:37][cH:38][cH:39]1.[CH:41]([OH:42])([CH3:43])[CH3:44]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](=[O:29])[c:8]2[c:9]([n:10][c:11]([NH:40][c:36]3[cH:35][c:34]([CH2:33][N:31]([CH3:30])[CH3:32])[cH:39][cH:38][cH:37]3)[n:12][cH:13]2)[n:18](-[c:20]2[cH:21][c:22]3[c:26]([cH:27][cH:28]2)[CH2:25][CH2:24][CH2:23]3)[cH:19]1

참가 물질

4

반응물 3

HCID 3776IsopropanolHCID 992943-amino-N,N-dimethylbenzylamineHCID 252229828-Indan-5-yl-2-methanesulfonyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester

생성물 1

HCID 686788652-(3-Dimethylaminomethyl-phenylamino)-8-indan-5-yl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-d41e88ea804a44a689ed6c3c2ffe3028
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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