Sodium ion → 4-(2-amino-7-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-3,5-dimethyl-benzonitrile

HRID 118875

반응식

HRID 118875 반응식
[CH2:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[n:21]1[cH:22][cH:23][c:24]2[c:25]1[n:26][c:27]([NH2:31])[n:28][c:29]2[Cl:30].[CH3:33][n:34]1[cH:35][cH:36][cH:37][cH:38][c:39]1=[O:40].[H-:13].[Na+:12].[OH2:32].[OH:1][c:2]1[c:3]([CH3:11])[cH:4][c:5]([C:6]#[N:7])[cH:8][c:9]1[CH3:10]>>[O:1]([c:2]1[c:3]([CH3:11])[cH:4][c:5]([C:6]#[N:7])[cH:8][c:9]1[CH3:10])[c:29]1[c:24]2[cH:23][cH:22][n:21]([CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[c:25]2[n:26][c:27]([NH2:31])[n:28]1

참가 물질

7

반응물 6

HCID 923Sodium ionHCID 962WaterHCID 127551-Methyl-2(1H)-pyridinoneHCID 201763,5-Dimethyl-4-hydroxybenzonitrileHCID 166653HydrideHCID 105873407-benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine

생성물 1

HCID 576935754-(2-amino-7-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-3,5-dimethyl-benzonitrile

출처 및 근거

ORD 기록
ord-94190dddb3744c578d1675bcb0b63c55
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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