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Methanol → HCID 59671517, 화합물

HRID 319126
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HRID 319126 반응식
[B-:50]([F:51])([F:52])([F:53])[F:54].[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH2:11][CH:12]([CH2:27][O:28][c:29]2[cH:30][n:31][cH:32][cH:33][cH:34]2)[N:13]([c:16]2[o:17][c:18]([C:22]([O:24][CH2:23][CH3:25])=[O:26])[c:19]([CH3:21])[n:20]2)[CH2:14][CH2:15]1.[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:77][OH:78].[Li+:1].[NH2:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[OH-:2].[OH2:79].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH2:11][CH:12]([CH2:27][O:28][c:29]2[cH:30][n:31][cH:32][cH:33][cH:34]2)[N:13]([c:16]2[o:17][c:18]([C:22](=[O:24])[NH:35][CH2:36][c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:19]([CH3:21])[n:20]2)[CH2:14][CH2:15]1
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 7504BenzylamineHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 26255TetrafluoroborateHCID 28486Lithium ion
HCID 130500
O-benzotriazol-1-yl-tetramethyluronium
HCID 59671499Ethyl 2-(4-(tert-butoxycarbonyl)-2-((pyridin-3-yloxy)methyl)piperazin-1-yl)-4-methyloxazole-5-carboxylate

생성물 1

HCID 59671517HCID 59671517, 화합물

출처 및 근거

ORD 기록
ord-e4bcbd4de3224101bd4480eec4e3eb26
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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