3-(Trifluoromethyl)phenyl isocyanate → Methyl 3-[3-[[3-(trifluoromethyl)phenyl]iminomethylideneamino]-4-pyridinyl]prop-2-enoate

반응식

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

참가 물질

반응물 2

HCID 94833-(Trifluoromethyl)phenyl isocyanate

HCID 72236420Methyl 3-[3-[(triphenyl-lambda5-phosphanylidene)amino]-4-pyridinyl]prop-2-enoate

생성물 1

HCID 90761513Methyl 3-[3-[[3-(trifluoromethyl)phenyl]iminomethylideneamino]-4-pyridinyl]prop-2-enoate

출처 및 근거

ORD 기록: ord-7dab4da8bc0d4c7e9bcb04f8bb3f43b6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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