Purine-2,6(1H,3H)-dione, 7-(2-bromobenzyl)-8-chloro-1,3-dimethyl- → (1-(7-(2-Bromobenzyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-8-yl)pyrrolidin-3-yl)carbamic acid tert-butyl ester

HRID 693977

반응식

HRID 693977 반응식
[Br:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([Cl:18])[n:7][c:8]3[n:9]([CH3:17])[c:10](=[O:16])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[cH:19][cH:20][cH:21][cH:22]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[NH:30][CH:31]1[CH2:32][NH:33][CH2:34][CH2:35]1>>[Br:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([N:33]3[CH2:32][CH:31]([NH:30][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[CH2:35][CH2:34]3)[n:7][c:8]3[n:9]([CH3:17])[c:10](=[O:16])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[cH:19][cH:20][cH:21][cH:22]1

참가 물질

3

반응물 2

HCID 598207Purine-2,6(1H,3H)-dione, 7-(2-bromobenzyl)-8-chloro-1,3-dimethyl-HCID 2757234tert-butyl N-(pyrrolidin-3-yl)carbamate

생성물 1

HCID 69137093(1-(7-(2-Bromobenzyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-8-yl)pyrrolidin-3-yl)carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-9bee665f36f4491496a5ec9ccceba4a7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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