2-Amino-1-(3-chlorophenyl)ethan-1-ol → HCID 178471603, 화합물

HRID 100607

반응식

HRID 100607 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH2:7][C:8](=[O:9])[O:10][CH2:11][CH3:12])[NH:13][C:14]1=[N:18][C:17](=[O:19])[C:16](=[CH:20][c:21]2[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][C:30]4([O:31][CH2:32][CH2:33][O:34]4)[CH2:35][CH2:36]3)[cH:25][cH:26]2)[S:15]1)=[O:37].[NH2:38][CH2:39][CH:40]([OH:41])[c:42]1[cH:43][cH:44][c:45]([OH:53])[c:46]([NH:48][S:49](=[O:50])(=[O:51])[CH3:52])[cH:47]1.[NH2:54][CH2:55][CH:56]([c:57]1[cH:58][cH:59][cH:60][c:61]([Cl:62])[cH:63]1)[OH:64]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH2:7][C:8](=[O:9])[O:10][CH2:11][CH3:12])[NH:13][C:14]1=[N:18][C:17](=[O:19])[C:16](=[CH:20][c:21]2[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][CH:30]([NH:38][CH2:39][CH:40]([OH:41])[c:42]4[cH:43][cH:44][c:45]([OH:53])[c:46]([NH:48][S:49](=[O:50])(=[O:51])[CH3:52])[cH:47]4)[CH2:35][CH2:36]3)[cH:25][cH:26]2)[S:15]1)=[O:37]

참가 물질

4

반응물 3

HCID 37516012-Amino-1-(3-chlorophenyl)ethan-1-olHCID 9837752N-[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl]methanesulphonamideHCID 178471602HCID 178471602, 화합물

생성물 1

HCID 178471603HCID 178471603, 화합물

출처 및 근거

ORD 기록
ord-b63ebe1a492f4d9fae759ee8baa981cf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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