Toluene → HCID 19020443, 화합물

HRID 141763

반응식

HRID 141763 반응식
[C:1]([O:5][CH:6]([N:2]([CH3:3])[CH3:4])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])([CH3:7])([CH3:8])[CH3:9].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[O:15]=[c:16]1[n:17]2[c:22]([c:23]([C:33]([OH:34])=[O:35])[cH:24][c:25]1-[c:26]1[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]1)-[c:21]1[c:20]([cH:38][cH:37][s:36]1)[CH2:19][CH2:18]2>>[O:5]=[C:6]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[c:23]1[c:22]2[n:17]([c:16](=[O:15])[c:25](-[c:26]3[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]3)[cH:24]1)[CH2:18][CH2:19][c:20]1[c:21]-2[s:36][cH:37][cH:38]1

참가 물질

4

반응물 3

HCID 1140TolueneHCID 5477121,1-bis(1,1-dimethylethoxy)-N,N,N-trimethylamineHCID 19020416HCID 19020416, 화합물

생성물 1

HCID 19020443HCID 19020443, 화합물

출처 및 근거

ORD 기록
ord-7a1360499b1d4ac189a40de71323b6a5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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