alpha-Methylbenzyl isocyanate → HCID 178499939, 화합물

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[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:13]2[c:14]([CH3:20])[c:15]([CH3:19])[n:16][cH:17][cH:18]2)[cH:10][cH:11]1)[NH:21][C:22](=[O:23])[CH:24]1[NH:25][CH2:26][c:27]2[cH:28][c:29]3[c:30]([cH:31][c:32]2[CH2:33]1)[O:34][CH2:35][CH:36]([c:38]1[cH:39][cH:40][c:41]([O:44][CH2:45][c:46]2[cH:47][c:48]([Cl:53])[c:49]([Cl:52])[cH:50][cH:51]2)[cH:42][cH:43]1)[O:37]3)=[O:54].[N:55](=[C:56]=[O:57])[CH:58]([CH3:59])[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:13]2[c:14]([CH3:20])[c:15]([CH3:19])[n:16][cH:17][cH:18]2)[cH:10][cH:11]1)[NH:21][C:22](=[O:23])[CH:24]1[N:25]([C:56]([NH:55][CH:58]([CH3:59])[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)=[O:57])[CH2:26][c:27]2[cH:28][c:29]3[c:30]([cH:31][c:32]2[CH2:33]1)[O:34][CH2:35][CH:36]([c:38]1[cH:39][cH:40][c:41]([O:44][CH2:45][c:46]2[cH:47][c:48]([Cl:53])[c:49]([Cl:52])[cH:50][cH:51]2)[cH:42][cH:43]1)[O:37]3)=[O:54]

참가 물질

반응물 2

HCID 85760alpha-Methylbenzyl isocyanate

HCID 76761558Methyl 2-[[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-[(2,3-dimethyl-4-pyridinyl)oxy]phenyl]propanoate

생성물 1

HCID 178499939HCID 178499939, 화합물

출처 및 근거

ORD 기록: ord-cb4c96ca924349a3bbb20a552aef71b9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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