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Chloride → 4-[4-(2,4,6-trimethyl-phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino]-benzonitrile

HRID 2129577
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반응식

HRID 2129577 반응식
[Al+3:37].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][cH:10][c:11]2[c:12]1[n:13][c:14]([NH:27][c:28]1[cH:29][cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35]1)[n:15][c:16]2[NH:17][c:18]1[c:19]([CH3:26])[cH:20][c:21]([CH3:25])[cH:22][c:23]1[CH3:24].[Cl-:36].[Cl-:38].[Cl-:39].[Cl:41][c:42]1[c:43]([Cl:44])[cH:45][cH:46][cH:47][cH:48]1.[OH2:40]>>[nH:8]1[cH:9][cH:10][c:11]2[c:12]1[n:13][c:14]([NH:27][c:28]1[cH:29][cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35]1)[n:15][c:16]2[NH:17][c:18]1[c:19]([CH3:26])[cH:20][c:21]([CH3:25])[cH:22][c:23]1[CH3:24]
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반응물 5

HCID 312Chloride3회HCID 962WaterHCID 72391,2-DichlorobenzeneHCID 104727Aluminum CationHCID 576935564-[7-benzyl-4-(2,4,6-trimethyl-phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino]-benzonitrile

생성물 1

HCID 576935604-[4-(2,4,6-trimethyl-phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino]-benzonitrile

출처 및 근거

ORD 기록
ord-2530bede792047babbed39c7e2246bb0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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