Toluene → HCID 178441245, compound

HRID 2340551Notes

Reaction equation

HRID 2340551 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH:6]([O:16][SiH:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[N:7]([c:9]2[s:10][cH:11][c:12]([CH2:14][OH:15])[n:13]2)[CH2:8]1.[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:30]=[C:31]1[NH:32][C:33](=[O:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]21.[O:60]=[C:61]([O:62][CH2:63][CH3:64])[N:65]=[N:66][C:67]([O:68][CH2:69][CH3:70])=[O:71].[O:79]1[CH2:80][CH2:81][CH2:82][CH2:83]1.[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH:6]([O:16][SiH:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[N:7]([c:9]2[s:10][cH:11][c:12]([CH2:14][N:32]3[C:31](=[O:30])[c:40]4[c:35]([cH:36][cH:37][cH:38][cH:39]4)[C:33]3=[O:34])[n:13]2)[CH2:8]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 6809PhthalimideHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 173183380HCID 173183380, compound

Product 1

HCID 178441245HCID 178441245, compound

Sources & evidence

ORD record
ord-4f9d5253a8d849c88004abdbcf142f14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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