Dichloromethane → [4-(3-Dimethylamino-propyl)piperazin-1-yl]-(4-{4-[4-(tetrahydropyran-4-sulfonyl)phenyl]pyrimidin-2-ylamino}phenyl)methanone

HRID 148100

반응식

HRID 148100 반응식
[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:32][N:33]([CH3:34])[CH2:35][CH2:36][CH2:37][N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54].[Cl:70][CH2:71][Cl:72].[O:1]1[CH2:2][CH2:3][CH:4]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][cH:12][c:13](-[c:16]3[n:17][c:18]([NH:22][c:23]4[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]4)[n:19][cH:20][cH:21]3)[cH:14][cH:15]2)[CH2:5][CH2:6]1.[OH:55][n:56]1[c:57]2[c:58]([cH:59][cH:60][cH:61][cH:62]2)[n:63][n:64]1>>[O:1]1[CH2:2][CH2:3][CH:4]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][cH:12][c:13](-[c:16]3[n:17][c:18]([NH:22][c:23]4[cH:24][cH:25][c:26]([C:27](=[O:29])[N:41]5[CH2:40][CH2:39][N:38]([CH2:37][CH2:36][CH2:35][N:33]([CH3:32])[CH3:34])[CH2:43][CH2:42]5)[cH:30][cH:31]4)[n:19][cH:20][cH:21]3)[cH:14][cH:15]2)[CH2:5][CH2:6]1

참가 물질

7

반응물 6

HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 27362341-[3-(Dimethylamino)propyl]piperazineHCID 219059944-{4-[4-(Tetrahydro-pyran-4-sulfonyl)-phenyl]-pyrimidin-2-ylamino}-benzoic acid

생성물 1

HCID 21906004[4-(3-Dimethylamino-propyl)piperazin-1-yl]-(4-{4-[4-(tetrahydropyran-4-sulfonyl)phenyl]pyrimidin-2-ylamino}phenyl)methanone

출처 및 근거

ORD 기록
ord-d1ba069897714a26afb437e092a55b4b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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