Toluene → HCID 22132682, 화합물

HRID 320689

반응식

HRID 320689 반응식
[CH2:23]([CH2:24][CH2:25][CH3:26])[c:27]1[cH:28][cH:29][c:30]([N:33]=[C:34]=[O:35])[cH:31][cH:32]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH:22][C:34]([NH:33][c:30]4[cH:29][cH:28][c:27]([CH2:23][CH2:24][CH2:25][CH3:26])[cH:32][cH:31]4)=[O:35])[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]

참가 물질

4

반응물 3

HCID 1140TolueneHCID 27963134-Butylphenyl isocyanateHCID 115945434-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline

생성물 1

HCID 22132682HCID 22132682, 화합물

출처 및 근거

ORD 기록
ord-75fc9ddc437e4cfeb6976da656d8a425
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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