Methanol → 3-(1-methylindol-3-yl)-4-[3-(2,2-dimethyl-1,3-dioxan-5-ylamino)phenyl]-1H-pyrrole-2,5-dione

HRID 311718

반응식

HRID 311718 반응식
[CH3:1][n:2]1[cH:3][c:4]([C:11]2=[C:15]([c:16]3[cH:17][c:18]([NH2:22])[cH:19][cH:20][cH:21]3)[C:14](=[O:23])[NH:13][C:12]2=[O:24])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[CH3:25][C:26]1([CH3:33])[O:27][CH2:28][C:29](=[O:32])[CH2:30][O:31]1.[CH3:34][OH:35]>>[CH3:1][n:2]1[cH:3][c:4]([C:11]2=[C:15]([c:16]3[cH:17][c:18]([NH:22][CH:29]4[CH2:28][O:27][C:26]([CH3:25])([CH3:33])[O:31][CH2:30]4)[cH:19][cH:20][cH:21]3)[C:14](=[O:23])[NH:13][C:12]2=[O:24])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

참가 물질

4

반응물 3

HCID 887MethanolHCID 27331412,2-Dimethyl-1,3-dioxan-5-oneHCID 5327711Iron oxide, spent

생성물 1

HCID 120181673-(1-methylindol-3-yl)-4-[3-(2,2-dimethyl-1,3-dioxan-5-ylamino)phenyl]-1H-pyrrole-2,5-dione

출처 및 근거

ORD 기록
ord-fe45d9dfd26248fca72e03275f893424
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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