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Methanol → HCID 178431462, 화합물

HRID 1138998
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HRID 1138998 반응식
[CH2:1]([O:2][C:4](=[O:5])[c:6]1[c:7]([NH:15][c:16]2[c:17]([F:23])[cH:18][c:19]([Br:22])[cH:20][cH:21]2)[c:8]2[cH:9][n:10][cH:11][cH:12][c:13]2[s:14]1)[CH3:3].[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:26][C:27]1([CH3:35])[O:28][CH2:29][CH:30]([CH2:32][O:33][NH2:34])[O:31]1.[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[CH3:77][OH:78].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Na+:25].[OH-:24].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[C:4](=[O:5])([c:6]1[c:7]([NH:15][c:16]2[c:17]([F:23])[cH:18][c:19]([Br:22])[cH:20][cH:21]2)[c:8]2[cH:9][n:10][cH:11][cH:12][c:13]2[s:14]1)[NH:34][O:33][CH2:32][CH:30]1[CH2:29][O:28][C:27]([CH3:26])([CH3:35])[O:31]1
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531
Diisopropylethylamine
HCID 10240948O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hydroxylamine
HCID 597038743-(4-Bromo-2-fluoro-phenylamino)-thieno[3,2-c]pyridine-2-carboxylic acid ethyl ester

생성물 1

HCID 178431462HCID 178431462, 화합물

출처 및 근거

ORD 기록
ord-fe02f025dba7432b969fffa5daa8d22e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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