Acetonitrile → HCID 68432292, 화합물

HRID 2317648노트

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[CH3:40][C:41]#[N:42].[Cl:1][CH2:2][C:3](=[O:4])[Cl:5].[NH2:6][c:7]1[n:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[c:15]2[c:16]1[n:17][c:18]([CH2:36][O:37][CH2:38][CH3:39])[n:19]2[CH2:20][CH2:21][CH2:22][NH:23][CH2:24][c:25]1[cH:26][c:27]([CH2:31][C:32](=[O:33])[O:34][CH3:35])[cH:28][cH:29][cH:30]1>>[Cl:1][CH2:2][C:3](=[O:4])[N:23]([CH2:22][CH2:21][CH2:20][n:19]1[c:15]2[c:14]3[c:9]([n:8][c:7]([NH2:6])[c:16]2[n:17][c:18]1[CH2:36][O:37][CH2:38][CH3:39])[cH:10][cH:11][cH:12][cH:13]3)[CH2:24][c:25]1[cH:26][c:27]([CH2:31][C:32](=[O:33])[O:34][CH3:35])[cH:28][cH:29][cH:30]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 6577Chloroacetyl chloride

HCID 68430759HCID 68430759, 화합물

생성물 1

HCID 68432292HCID 68432292, 화합물

출처 및 근거

ORD 기록: ord-361ce6006911434b8e17b0801aaedde2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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