Magnesium Cation → 7-(4-chlorobenzoyl)-5-(3-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2(3H)-one

HRID 87210

반응식

HRID 87210 반응식
[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Mg+2:30].[NH2:1][c:2]1[c:3]([CH:17]([S:18][CH2:19][C:20](=[O:21])[OH:22])[c:23]2[cH:24][c:25]([Cl:29])[cH:26][cH:27][cH:28]2)[cH:4][c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([Cl:15])[cH:13][cH:14]2)=[O:16])[cH:6][cH:7]1.[O-:31][S:32]([O-:33])(=[O:34])=[O:35]>>[NH:1]1[c:2]2[c:3]([cH:4][c:5]([C:8]([c:9]3[cH:10][cH:11][c:12]([Cl:15])[cH:13][cH:14]3)=[O:16])[cH:6][cH:7]2)[CH:17]([c:23]2[cH:24][c:25]([Cl:29])[cH:26][cH:27][cH:28]2)[S:18][CH2:19][C:20]1=[O:21]

참가 물질

5

반응물 4

HCID 888Magnesium CationHCID 1117Sulfate IonHCID 1140TolueneHCID 69020567[[[2-Amino-5-(4-chlorobenzoyl)phenyl](3-chlorophenyl)methyl]thio]-acetic acid

생성물 1

HCID 690195197-(4-chlorobenzoyl)-5-(3-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2(3H)-one

출처 및 근거

ORD 기록
ord-6319b70d01ac494087f6084e084eec2d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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