Hydrochloric Acid → HCID 66737367, compound

HRID 138918Notes

Reaction equation

HRID 138918 reaction equation
[CH3:50][N:51]1[CH2:52][CH2:53][N:54]([c:57]2[cH:58][c:59]([N+:66](=[O:67])[O-:68])[c:60]([C:61](=[O:62])[Cl:63])[cH:64][cH:65]2)[CH2:55][CH2:56]1.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[ClH:49].[F:1][c:2]1[cH:3][c:4]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][c:13]3[c:14]([NH2:39])[n:15][n:16]([C:20]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[c:17]3[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[cH:3][c:4]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][c:13]3[c:14]([NH:39][C:61]([c:60]4[c:59]([N+:66](=[O:67])[O-:68])[cH:58][c:57]([N:54]5[CH2:53][CH2:52][N:51]([CH3:50])[CH2:56][CH2:55]5)[cH:65][cH:64]4)=[O:62])[n:15][n:16]([C:20]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[c:17]3[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 81531DiisopropylethylamineHCID 66737151HCID 66737151, compoundHCID 86643842HCID 86643842, compound

Product 1

HCID 66737367HCID 66737367, compound

Sources & evidence

ORD record
ord-a6573d58cce6443880fb1427af15b9ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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