Acetate → HCID 22989987, 화합물

HRID 197198

반응식

HRID 197198 반응식
[CH2:19]([CH2:20][CH3:21])[O:22][c:23]1[cH:24][cH:25][c:26]([O:29][B:30]([OH:31])[OH:32])[cH:27][cH:28]1.[CH3:33][C:34](=[O:35])[O-:36].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:37][CH2:38][Cl:39].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13]>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13])[c:26]1[cH:25][cH:24][c:23]([O:22][CH2:19][CH2:20][CH3:21])[cH:28][cH:27]1

참가 물질

6

반응물 5

HCID 175AcetateHCID 6344DichloromethaneHCID 8471TriethylamineHCID 22989977Methyl 7-hydroxy-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylateHCID 22990188HCID 22990188, 화합물

생성물 1

HCID 22989987HCID 22989987, 화합물

출처 및 근거

ORD 기록
ord-6398441e56b34dee9c18fbd4e0fa15e6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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