Toluene → HCID 178470895, compound

HRID 1536169Notes

Reaction equation

HRID 1536169 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][n:10]2[c:11](-[c:16]3[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]3)[cH:12][cH:13][c:14]2[CH3:15])[cH:6][cH:7]1.[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:56]=[C:57]([O:58][CH2:59][CH3:60])[N:61]=[N:62][C:63]([O:64][CH2:65][CH3:66])=[O:67].[OH:23][CH:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][n:10]2[c:11](-[c:16]3[cH:17][cH:18][c:19]([O:22][CH:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:20][cH:21]3)[cH:12][cH:13][c:14]2[CH3:15])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 6429708Ethyl phenyllactate, (+-)-HCID 223874754-[1-[2-(4-bromophenyl)ethan-1-yl]-5-methyl-1H-pyrrol-2-yl]phenol

Product 1

HCID 178470895HCID 178470895, compound

Sources & evidence

ORD record
ord-abefbdf2bfe24db7a6206a093cc4f327
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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