Toluene → HCID 11484465, 화합물

반응식

[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[NH:6][c:7]1[cH:8][c:9]2[c:14]([cH:15][cH:16]1)[C:13]([CH3:17])([CH3:18])[CH2:12][CH2:11][C:10]2([CH3:19])[CH3:20].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Cl:21][C:22]([Cl:23])=[O:24]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[N:6]([c:7]1[cH:8][c:9]2[c:14]([cH:15][cH:16]1)[C:13]([CH3:17])([CH3:18])[CH2:12][CH2:11][C:10]2([CH3:19])[CH3:20])[C:22]([Cl:21])=[O:24]

참가 물질

반응물 3

HCID 1140Toluene

HCID 6371Phosgene

HCID 11208062HCID 11208062, 화합물

생성물 1

HCID 11484465HCID 11484465, 화합물

출처 및 근거

ORD 기록: ord-198bb2fa2be342cc8d63e155b0c6bccd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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