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Bicarbonate Ion → 1-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine

HRID 2330540
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HRID 2330540 반응식
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([NH2:8])[n:7]1)[n:9]([CH2:12][c:13]1[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]1)[n:10][cH:11]2.[Na+:32].[O-:28][C:29]([OH:30])=[O:31].[OH2:38].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1.[s:20]1[c:21]([B:25]([OH:26])[OH:27])[cH:22][cH:23][cH:24]1>>[c:2]1(-[c:21]2[s:20][cH:24][cH:23][cH:22]2)[c:3]2[c:4]([n:5][c:6]([NH2:8])[n:7]1)[n:9]([CH2:12][c:13]1[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]1)[n:10][cH:11]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 27339602-Thiopheneboronic acidHCID 220155054-chloro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amineHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 220154931-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine

출처 및 근거

ORD 기록
ord-9a9369d1cae14cb6bc8d9d4dc9a7cd7e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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