Dichloromethane → 2-Allyl-2-[3-methyl-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e] [1,4]diazepin-3-ylcarbamoyl)-butyl]-pent-4-enoic acid

HRID 1221870

반응식

HRID 1221870 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH2:8][CH:9]=[CH2:10])([CH:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[C:16]([NH:17][CH:18]1[N:19]=[C:20]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:21]2[c:22]([cH:27][cH:28][cH:29][cH:30]2)[N:23]([CH3:26])[C:24]1=[O:25])=[O:37])[CH2:38][CH:39]=[CH2:40])=[O:41].[Cl:49][CH2:50][Cl:51].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[O:5]=[C:6]([C:7]([CH2:8][CH:9]=[CH2:10])([CH:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[C:16]([NH:17][CH:18]1[N:19]=[C:20]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:21]2[c:22]([cH:27][cH:28][cH:29][cH:30]2)[N:23]([CH3:26])[C:24]1=[O:25])=[O:37])[CH2:38][CH:39]=[CH2:40])[OH:41]

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 235552212-Allyl-2-[3-methyl-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylcarbamoyl)-butyl]-pent-4-enoic acid tert-butyl ester

생성물 1

HCID 222882322-Allyl-2-[3-methyl-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e] [1,4]diazepin-3-ylcarbamoyl)-butyl]-pent-4-enoic acid

출처 및 근거

ORD 기록
ord-17070954cc834b9b86e062fbfc0d6f1a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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