1-Isocyanato-2-phenoxybenzene → 18-(2-Phenoxyphenylaminocarbonyloxy)-14-tert-butoxycarbonylamino-4-cyclopropylsulfonylaminocarbonyl-2,15-dioxo-3,16-diaza-12-oxatricyclo-[14.3.0.04,6]-nonadec-7-ene

HRID 116876

반응식

HRID 116876 반응식
[O:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[c:47]1[c:48]([N:53]=[C:54]=[O:55])[cH:49][cH:50][cH:51][cH:52]1.[OH:1][CH:2]1[CH2:3][N:4]2[C:5](=[O:39])[CH:6]([NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:7][O:8][CH2:9][CH2:10][CH2:11][CH:12]=[CH:13][CH:14]3[CH2:15][C:16]3([C:22](=[O:23])[NH:24][S:25](=[O:26])(=[O:27])[CH:28]3[CH2:29][CH2:30]3)[NH:17][C:18](=[O:21])[CH:19]2[CH2:20]1>>[O:1]([CH:2]1[CH2:3][N:4]2[C:5](=[O:39])[CH:6]([NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:7][O:8][CH2:9][CH2:10][CH2:11][CH:12]=[CH:13][CH:14]3[CH2:15][C:16]3([C:22](=[O:23])[NH:24][S:25](=[O:26])(=[O:27])[CH:28]3[CH2:29][CH2:30]3)[NH:17][C:18](=[O:21])[CH:19]2[CH2:20]1)[C:54]([NH:53][c:48]1[c:47]([O:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:52][cH:51][cH:50][cH:49]1)=[O:55]

참가 물질

3

반응물 2

HCID 27333891-Isocyanato-2-phenoxybenzeneHCID 7226012718-Hydroxy-14-tert-butoxycarbonylamino-4-cyclopropylsulfonylaminocarbonyl-2,15-dioxo-3,16-diaza-12-oxatricyclo[14.3.0.04,6]-nonadec-7-ene

생성물 1

HCID 8661208518-(2-Phenoxyphenylaminocarbonyloxy)-14-tert-butoxycarbonylamino-4-cyclopropylsulfonylaminocarbonyl-2,15-dioxo-3,16-diaza-12-oxatricyclo-[14.3.0.04,6]-nonadec-7-ene

출처 및 근거

ORD 기록
ord-bd688d714f884180bc6aadb8cb971c5f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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