Benzene → 5-(4-aminophenyl)-8-methyl-N-phenyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide

HRID 188916

반응식

HRID 188916 반응식
[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][NH:10][CH:11]([CH3:22])[CH2:12][c:13]3[c:14]2[cH:15][c:16]2[c:17]([cH:18]3)[O:19][CH2:20][O:21]2)[cH:6][cH:7]1.[O:29]=[C:30]=[N:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[cH:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:30](=[O:29])[NH:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH:11]([CH3:22])[CH2:12][c:13]3[c:14]2[cH:15][c:16]2[c:17]([cH:18]3)[O:19][CH2:20][O:21]2)[cH:6][cH:7]1

참가 물질

4

반응물 3

HCID 241BenzeneHCID 3539Gyki 52895HCID 7672Phenyl isocyanate

생성물 1

HCID 190407215-(4-aminophenyl)-8-methyl-N-phenyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide

출처 및 근거

ORD 기록
ord-b0f2dc0667b845269bcd4ded9f091569
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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