Ethyl Acetate → 3-[[2-[3-Methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]benzoic acid

반응식

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

참가 물질

반응물 2

HCID 8857Ethyl Acetate

HCID 178498312HCID 178498312, 화합물

생성물 1

HCID 197096673-[[2-[3-Methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]benzoic acid

출처 및 근거

ORD 기록: ord-042dfbbead9e444298bacb87a267acc9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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