Toluene → 8-Chloro-2-(2-chloroethyl)-2,3-dihydro-4-methyl-1,4-benzoxazepine-5(4H)-thione

HRID 299788

반응식

HRID 299788 반응식
[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[C:6](=[O:15])[N:7]([CH3:14])[CH2:8][CH:9]([CH2:11][CH2:12][Cl:13])[O:10]2.[P:18]12(=[S:19])[S:20][P:21]3(=[S:31])[S:22][P:23](=[S:29])([S:24][P:25](=[S:28])([S:26]3)[S:27]1)[S:30]2>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[C:6](=[S:19])[N:7]([CH3:14])[CH2:8][CH:9]([CH2:11][CH2:12][Cl:13])[O:10]2

참가 물질

4

반응물 3

HCID 1140TolueneHCID 14817Phosphorus sulfide (P2S5)HCID 137262948-chloro-2-(2-chloroethyl)-2,3-dihydro-4-methyl-1,4-benzoxazepin-5(4H)one

생성물 1

HCID 137262998-Chloro-2-(2-chloroethyl)-2,3-dihydro-4-methyl-1,4-benzoxazepine-5(4H)-thione

출처 및 근거

ORD 기록
ord-3707027d73bd4723ad1c4d5d6cd5fbe9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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