Benzo-1,3-dioxole-5-methylamine → HCID 10126855, 화합물

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

참가 물질

반응물 3

HCID 75799Benzo-1,3-dioxole-5-methylamine

HCID 5250894Bis-(1H-imidazol-2-YL)-methanone

HCID 69693616HCID 69693616, 화합물

생성물 1

HCID 10126855HCID 10126855, 화합물

출처 및 근거

ORD 기록: ord-6b62ba8e2bf24ff5974ebfd76b373822
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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