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Methanol → 2-{4-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-piperidin-1-yl}-acetamide

HRID 670463
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HRID 670463 반응식
[Br:36][CH2:37][C:38](=[O:39])[NH2:40].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:44][OH:45].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[Cl:41][CH2:42][Cl:43].[OH2:46]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][CH2:25][N:26]([CH2:37][C:38](=[O:39])[NH2:40])[CH2:27][CH2:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2
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반응물 6

HCID 887MethanolHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 696322-BromoacetamideHCID 582037792-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-piperidin-4-yl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

생성물 1

HCID 58204112
2-{4-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-piperidin-1-yl}-acetamide

출처 및 근거

ORD 기록
ord-bbc9da2928b04531880c617d5b811373
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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