HCID 70654481, 화합물 → 4-[6-amino-5-(3-methyl-5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-8-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide

반응식

[CH3:1][CH:2]1[NH:3][C:4](=[O:22])[c:5]2[c:6]([cH:9][c:10]([B:13]3[O:14][C:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[O:21]3)[cH:11][cH:12]2)[NH:7][CH2:8]1.[NH2:23][c:24]1[c:25]([Br:43])[cH:26][c:27](-[c:30]2[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[NH:39][CH:40]3[CH2:41][CH2:42]3)[cH:34][cH:35]2)[cH:28][n:29]1>>[CH3:1][CH:2]1[NH:3][C:4](=[O:22])[c:5]2[c:6]([cH:9][c:10](-[c:25]3[c:24]([NH2:23])[n:29][cH:28][c:27](-[c:30]4[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[NH:39][CH:40]5[CH2:41][CH2:42]5)[cH:34][cH:35]4)[cH:26]3)[cH:11][cH:12]2)[NH:7][CH2:8]1

참가 물질

반응물 2

HCID 70654481HCID 70654481, 화합물

HCID 70654595HCID 70654595, 화합물

생성물 1

HCID 706547604-[6-amino-5-(3-methyl-5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-8-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide

출처 및 근거

ORD 기록: ord-2b2b6a7434614532bdc3360bd3e61ced
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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