Water → (4-tert-Butyl-phenyl)-[7-(3-methanesulfonyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-amine

HRID 192886노트

반응식

HRID 192886 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[c:13]3[c:14]([n:15][cH:16][n:17]2)[CH2:18][NH:19][CH2:20][CH2:21]3)[cH:9][cH:10]1.[Cl:22][c:23]1[n:24][cH:25][cH:26][cH:27][c:28]1[S:29](=[O:30])(=[O:31])[CH3:32].[OH2:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[c:13]3[c:14]([n:15][cH:16][n:17]2)[CH2:18][N:19]([c:23]2[n:24][cH:25][cH:26][cH:27][c:28]2[S:29](=[O:30])(=[O:31])[CH3:32])[CH2:20][CH2:21]3)[cH:9][cH:10]1

참가 물질

4

반응물 3

HCID 962WaterHCID 125137462-Chloro-3-(methanesulfonyl)pyridineHCID 59021490N-(4-tert-butylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

생성물 1

HCID 12004320(4-tert-Butyl-phenyl)-[7-(3-methanesulfonyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-amine

출처 및 근거

ORD 기록
ord-30a061e5d109444d8aab4e47c5c58cc5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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