Toluene → HCID 53816036, 화합물

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 811841,8-Diazabicyclo(5.4.0)undec-7-ene

HCID 10951051HCID 10951051, 화합물

생성물 1

HCID 53816036HCID 53816036, 화합물

출처 및 근거

ORD 기록: ord-c767a5bca47e481c867cf5cb57d3cc73
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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