Acetate → HCID 22990043, 화합물

HRID 97159노트

반응식

HRID 97159 반응식
[CH2:19]([CH3:20])[O:21][c:22]1[cH:23][c:24]([O:35][B:36]([OH:37])[OH:38])[cH:25][cH:26][c:27]1[O:28][CH2:29][CH2:30][O:31][CH2:32][CH2:33][CH3:34].[CH3:39][C:40](=[O:41])[O-:42].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:43][CH2:44][Cl:45].[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:24]1[cH:23][c:22]([O:21][CH2:19][CH3:20])[c:27]([O:28][CH2:29][CH2:30][O:31][CH2:32][CH2:33][CH3:34])[cH:26][cH:25]1

참가 물질

6

반응물 5

HCID 175AcetateHCID 6344DichloromethaneHCID 8471TriethylamineHCID 22989977Methyl 7-hydroxy-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylateHCID 22990041HCID 22990041, 화합물

생성물 1

HCID 22990043HCID 22990043, 화합물

출처 및 근거

ORD 기록
ord-79a523bd9bdd42fb8ebd65c8c24128be
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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