1-Butanol → HCID 178458567, compound

HRID 1218067Notes

Reaction equation

HRID 1218067 reaction equation
[CH2:67]([OH:68])[CH2:69][CH2:70][CH3:71].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:1][c:2]1[n:3][c:4]2[c:5]([c:6]3[nH:7][c:8](-[c:13]4[cH:14][c:15]([S:23](=[O:24])(=[O:25])[N:26]5[CH2:27][CH:28]([N:31]([CH3:32])[CH3:33])[CH2:29][CH2:30]5)[cH:16][cH:17][c:18]4[O:19][CH2:20][CH2:21][CH3:22])[n:9][c:10](=[O:12])[c:11]13)[cH:34][n:35]([CH2:37][c:38]1[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]1)[n:36]2.[Cl:46][c:47]1[cH:48][c:49]([CH2:50][NH2:51])[cH:52][cH:53][c:54]1[O:55][CH3:56].[ClH:57]>>[c:2]1([NH:51][CH2:50][c:49]2[cH:48][c:47]([Cl:46])[c:54]([O:55][CH3:56])[cH:53][cH:52]2)[n:3][c:4]2[c:5]([c:6]3[nH:7][c:8](-[c:13]4[cH:14][c:15]([S:23](=[O:24])(=[O:25])[N:26]5[CH2:27][CH:28]([N:31]([CH3:32])[CH3:33])[CH2:29][CH2:30]5)[cH:16][cH:17][c:18]4[O:19][CH2:20][CH2:21][CH3:22])[n:9][c:10](=[O:12])[c:11]13)[cH:34][n:35]([CH2:37][c:38]1[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]1)[n:36]2

Participants

6

Reactant 5

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 81531DiisopropylethylamineHCID 7380383-Chloro-4-methoxybenzylamineHCID 178458566HCID 178458566, compound

Product 1

HCID 178458567HCID 178458567, compound

Sources & evidence

ORD record
ord-3059abb2fa884eb49315550531b3e005
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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