Toluene → HCID 59772403, compound

HRID 116492Notes

Reaction equation

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:26]2)[CH2:13][CH2:14][c:15]2[c:16]([cH:22][cH:23][cH:24][cH:25]2)[N:17]([C:19]([CH3:20])=[O:21])[CH2:18]3)[n:7]1.[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[NH2:73][CH2:74][CH2:75][N:76]1[CH2:77][CH2:78][CH2:79][CH2:80]1.[cH:27]1[cH:28][cH:29][c:30]([P:31]([c:32]2[cH:33][cH:34][c:35]3[c:36]([cH:37][cH:38][cH:39][cH:40]3)[c:41]2-[c:42]2[c:43]3[c:44]([cH:45][cH:46][cH:47][cH:48]3)[cH:49][cH:50][c:51]2[P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72]1>>[c:2]1([NH:73][CH2:74][CH2:75][N:76]2[CH2:77][CH2:78][CH2:79][CH2:80]2)[cH:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:26]2)[CH2:13][CH2:14][c:15]2[c:16]([cH:22][cH:23][cH:24][cH:25]2)[N:17]([C:19]([CH3:20])=[O:21])[CH2:18]3)[n:7]1

Participants

Reactant 4

HCID 1140Toluene

HCID 13441-Pyrrolidineethanamine

HCID 634876Binap, (A+-)-

HCID 86601524HCID 86601524, compound

Product 1

HCID 59772403HCID 59772403, compound

Sources & evidence

ORD record: ord-f9adefeb5b324ab58a119b4f4fbcb802
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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