Phenylmethanesulfonyl chloride → HCID 10345947, compound

HRID 667296Notes

Reaction equation

HRID 667296 reaction equation
[CH2:47]([O:48][C:49]([N:50]1[CH2:51][CH2:52][CH:53]([c:54]2[nH:55][c:56](-[c:57]3[cH:58][cH:59][cH:60][cH:61][n:62]3)[c:63](-[c:64]3[cH:65][cH:66][c:67]4[c:71]([cH:72]3)[O:70][CH2:69][O:68]4)[n:73]2)[CH2:74][CH2:75]1)=[O:76])[c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH:12]([N:13]([CH:14]([CH3:15])[CH3:16])[CH2:17][CH3:18])([CH3:19])[CH3:20].[O:21]1[CH2:22][O:23][c:24]2[c:25]1[cH:26][cH:27][c:28](-[c:30]1[c:31](-[c:41]3[n:42][cH:43][cH:44][cH:45][cH:46]3)[nH:32][c:33]([CH:35]3[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]3)[n:34]1)[cH:29]2.[c:1]1([CH2:7][S:8](=[O:9])(=[O:10])[Cl:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][S:8](=[O:9])(=[O:10])[N:38]2[CH2:37][CH2:36][CH:35]([c:33]3[nH:32][c:31](-[c:41]4[n:42][cH:43][cH:44][cH:45][cH:46]4)[c:30](-[c:28]4[cH:27][cH:26][c:25]5[c:24]([cH:29]4)[O:23][CH2:22][O:21]5)[n:34]3)[CH2:40][CH2:39]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 74740Phenylmethanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 11583875HCID 11583875, compoundHCID 11638826HCID 11638826, compound

Product 1

HCID 10345947HCID 10345947, compound

Sources & evidence

ORD record
ord-3604015ac2f646a4a0addef5a1bf7112
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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