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Water → 5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4-hydrazino-6-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile

HRID 204492
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HRID 204492 반응식
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:12][n:13]3[n:14][c:15]4[n:16]([CH2:32][CH:33]5[CH2:34][CH2:35]5)[c:17](=[O:31])[nH:18][c:19](=[S:30])[c:20]4[c:21]3-[c:22]3[cH:23][c:24]([C:28]#[N:29])[cH:25][n:26]3[CH3:27])[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1.[Hg:51][Cl:52].[NH2:37][NH2:38].[OH2:36].[OH2:44]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:12][n:13]3[n:14][c:15]4[n:16]([CH2:32][CH:33]5[CH2:34][CH2:35]5)[c:17](=[O:31])[n:18][c:19]([NH:37][NH2:38])[c:20]4[c:21]3-[c:22]3[cH:23][c:24]([C:28]#[N:29])[cH:25][n:26]3[CH3:27])[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1
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참가 물질

7

반응물 6

HCID 962Water2회HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 9321HydrazineHCID 24182Mercurous ChlorideHCID 100289915-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-6-oxo-4-thioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile

생성물 1

HCID 587922115-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4-hydrazino-6-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile

출처 및 근거

ORD 기록
ord-a22b6114c48c45e3b65682729e8a369d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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