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Ethylene Glycol → 1-(8-Chloro-10,11-dihydro-2-methyl-dibenzo[b,f]thiepin-10-yl)piperazine

HRID 118399
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HRID 118399 반응식
[C:1]([O:2][CH2:3][CH3:4])(=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([CH:12]2[CH2:13][c:14]3[c:15]([cH:24][cH:25][c:26]([CH3:28])[cH:27]3)[S:16][c:17]3[c:18]2[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[CH2:10][CH2:11]1.[CH2:29]([OH:30])[CH2:31][OH:32].[K+:34].[OH-:33].[OH2:35]>>[NH:6]1[CH2:7][CH2:8][N:9]([CH:12]2[CH2:13][c:14]3[c:15]([cH:24][cH:25][c:26]([CH3:28])[cH:27]3)[S:16][c:17]3[c:18]2[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[CH2:10][CH2:11]1
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반응물 5

HCID 174Ethylene GlycolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 214160911-Carbethoxy-4-(8-chloro-10,11-dihydro-2-methyl-dibenzo[b,f]-thiepin-10-yl)piperazine

생성물 1

HCID 214161631-(8-Chloro-10,11-dihydro-2-methyl-dibenzo[b,f]thiepin-10-yl)piperazine

출처 및 근거

ORD 기록
ord-bd72b16e67fe44a78cb415f172ca1664
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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