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Chloromethyl methyl sulfide → 4-methylthiomethyl-4H-pyrazolo[4',3':5,6]pyrido[3,4-e][1,2,4]-triazolo[1,5-a]pyrimidin-5(8H)-one

HRID 1149302
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HRID 1149302 반응식
[CH2:30]([n:31]1[c:32]2[n:33][cH:34][c:35]3[c:36](=[O:37])[nH:38][c:39]4[n:40]([n:41][cH:42][n:43]4)[c:44]3[c:45]2[cH:46][n:47]1)[CH3:48].[CH3:12][n:13]1[c:14]2[n:15]([c:16]3[c:17]([c:18]1=[O:19])[cH:20][n:21][c:22]1[c:23]3[cH:24][n:25][nH:26]1)[n:27][cH:28][n:29]2.[CH3:1][S:2][CH2:3][Cl:4].[CH3:5][N:6]([CH3:7])[CH2:8][CH2:9][CH2:10][Cl:11]>>[CH3:1][S:2][CH2:3][n:13]1[c:14]2[n:15]([c:16]3[c:17]([c:18]1=[O:19])[cH:20][n:21][c:22]1[c:23]3[cH:24][n:25][nH:26]1)[n:27][cH:28][n:29]2
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반응물 4

HCID 16916Chloromethyl methyl sulfideHCID 669603-Chloro-N,N-dimethyl-1-propanamineHCID 234595934-Methyl-4H-pyrazolo[4',3':5,6]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-5(8H)-oneHCID 1355938528-Ethyl-4H-pyrazolo[4',3':5,6]pyrido[3,4-e][1,2,4]-triazolo[1,5-a]pyrimidin-5(8H)-one

생성물 1

HCID 234596384-methylthiomethyl-4H-pyrazolo[4',3':5,6]pyrido[3,4-e][1,2,4]-triazolo[1,5-a]pyrimidin-5(8H)-one

출처 및 근거

ORD 기록
ord-85f61315d89c4fdea7282d0e461da3f4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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