HCID 59619706, 화합물 → HCID 59619905, 화합물

HRID 2139257노트

반응식

HRID 2139257 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([cH:7][n:8][c:9]2[cH:10][cH:11]1)[n:12]([CH3:25])[c:13](=[O:24])[n:14]3-[c:15]1[c:16]([CH3:23])[n:17][n:18]([CH:20]([CH3:21])[CH3:22])[cH:19]1.[CH3:26][O:27][CH2:28][c:29]1[c:30]([NH:44][CH3:45])[n:31][cH:32][c:33]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:34]1>>[c:2]1(-[c:33]2[cH:32][n:31][c:30]([NH:44][CH3:45])[c:29]([CH2:28][O:27][CH3:26])[cH:34]2)[cH:3][c:4]2[c:5]3[c:6]([cH:7][n:8][c:9]2[cH:10][cH:11]1)[n:12]([CH3:25])[c:13](=[O:24])[n:14]3-[c:15]1[c:16]([CH3:23])[n:17][n:18]([CH:20]([CH3:21])[CH3:22])[cH:19]1

참가 물질

3

출처 및 근거

ORD 기록
ord-2e49fa17a9ba4e709cde499e5fad5979
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

반응 노트

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