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Hydrochloric Acid → Diphenylmethyl [4-[3-(4-cyanobenzenesulfonylamino)propyl]-2,3-dioxopiperazin-1-yl]acetate

HRID 121379
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HRID 121379 반응식
[C:31](#[N:32])[c:33]1[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[Cl:42])[cH:37][cH:38]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[ClH:1].[ClH:50].[NH2:2][CH2:3][CH2:4][CH2:5][N:6]1[C:7](=[O:30])[C:8](=[O:29])[N:9]([CH2:12][C:13](=[O:14])[O:15][CH:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:10][CH2:11]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:56]>>[NH:2]([CH2:3][CH2:4][CH2:5][N:6]1[C:7](=[O:30])[C:8](=[O:29])[N:9]([CH2:12][C:13](=[O:14])[O:15][CH:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:10][CH2:11]1)[S:39]([c:36]1[cH:35][cH:34][c:33]([C:31]#[N:32])[cH:38][cH:37]1)(=[O:40])=[O:41]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 394974-Cyanobenzenesulfonyl chlorideHCID 54313971Benzhydryl 2-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]acetate

생성물

1
HCID 54344221Diphenylmethyl [4-[3-(4-cyanobenzenesulfonylamino)propyl]-2,3-dioxopiperazin-1-yl]acetate

출처 및 근거

ORD 기록
ord-ab2c3d8e584947039d18a6fb9781b289
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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