N-(methylsulfonyl)-DL-phenylalanine → 8-chlorodibenz[b,f][1,4]oxazepine-10(11H)carboxylic acid

HRID 168397

반응식

HRID 168397 반응식
[CH3:1][S:2](=[O:3])([NH:4][CH:5]([C:6]([OH:7])=[O:8])[CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)=[O:16].[Cl:17][c:18]1[cH:19][c:20]2[c:21]([cH:34][cH:35]1)[O:22][c:23]1[c:24]([cH:30][cH:31][cH:32][cH:33]1)[CH2:25][N:26]2[C:27](=[O:28])[Cl:29]>>[OH:3][C:27]([N:26]1[c:20]2[cH:19][c:18]([Cl:17])[cH:35][cH:34][c:21]2[O:22][c:23]2[c:24]([cH:30][cH:31][cH:32][cH:33]2)[CH2:25]1)=[O:28]

참가 물질

3

출처 및 근거

ORD 기록
ord-a78f625bce48443f9886a0d54c0d8cc6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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