Chloroacetonitrile → HCID 53987411, 화합물

반응식

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

참가 물질

반응물 2

HCID 7856Chloroacetonitrile

HCID 88662905HCID 88662905, 화합물

생성물 1

HCID 53987411HCID 53987411, 화합물

출처 및 근거

ORD 기록: ord-3a5b823f0b304c5abbdd13b2ec149bd4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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