Oxalyl chloride → HCID 54517899, 화합물

반응식

[Cl:1][C:2](=[O:3])[C:4]([Cl:5])=[O:6].[NH2:7][c:8]1[n:9][c:10]([NH:38][CH2:39][CH2:40][CH2:41][CH2:42][CH:43]2[CH2:44][C:45]([CH3:60])([CH3:61])[N:46]([O:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59])[C:47]([CH3:49])([CH3:50])[CH2:48]2)[n:11][c:12]([NH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH:19]2[CH2:20][C:21]([CH3:36])([CH3:37])[N:22]([O:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[C:23]([CH3:25])([CH3:26])[CH2:24]2)[n:13]1>>[C:2](=[O:3])=[N:7][c:8]1[n:9][c:10]([NH:38][CH2:39][CH2:40][CH2:41][CH2:42][CH:43]2[CH2:44][C:45]([CH3:60])([CH3:61])[N:46]([O:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59])[C:47]([CH3:49])([CH3:50])[CH2:48]2)[n:11][c:12]([NH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH:19]2[CH2:20][C:21]([CH3:36])([CH3:37])[N:22]([O:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[C:23]([CH3:25])([CH3:26])[CH2:24]2)[n:13]1

참가 물질

반응물 2

HCID 65578Oxalyl chloride

HCID 54426568HCID 54426568, 화합물

생성물 1

HCID 54517899HCID 54517899, 화합물

출처 및 근거

ORD 기록: ord-1ac851e078ab4ffe8ae9edcb04fc7219
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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