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Acetate → 5-Methyl-4-(4-phenoxy-phenylamino)-6-phenylamino-pyrrolo[1,2-b]pyridazine-3-carbonitrile

HRID 689506
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HRID 689506 반응식
[C:41]([O-:42])(=[O:43])[CH3:44].[C:46]([O-:47])(=[O:48])[CH3:49].[Cl:38][CH2:39][Cl:40].[ClH:1].[Cu+2:45].[NH2:2][c:3]1[c:4]([CH3:28])[c:5]2[n:6]([n:7][cH:8][c:9]([C:25]#[N:26])[c:10]2[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:27]1.[c:29]1([B:35]([OH:36])[OH:37])[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[NH:2]([c:3]1[c:4]([CH3:28])[c:5]2[n:6]([n:7][cH:8][c:9]([C:25]#[N:26])[c:10]2[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:27]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1
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반응물 6

HCID 175Acetate2회HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 27099Cupric cationHCID 66827Phenylboronic AcidHCID 221794886-Amino-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile

생성물 1

HCID 22179638
5-Methyl-4-(4-phenoxy-phenylamino)-6-phenylamino-pyrrolo[1,2-b]pyridazine-3-carbonitrile

출처 및 근거

ORD 기록
ord-7f622a59d2704a7b8832cea20104ae6c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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